UCSF

ZINC12402796

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 31 No

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Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.67 0.71 -10.54 0 7 0 95 438.505 6
Mid Mid (pH 6-8) 2.85 0.84 -11.19 0 7 0 95 438.505 6
Mid Mid (pH 6-8) 2.85 2.19 -17.1 0 7 0 95 438.505 6
Mid Mid (pH 6-8) 2.67 0.75 -12.21 0 7 0 95 438.505 6
Lo Low (pH 4.5-6) 2.85 0.95 -39.5 1 7 1 96 439.513 6
Lo Low (pH 4.5-6) 2.67 2.06 -40.4 1 7 1 96 439.513 6
Lo Low (pH 4.5-6) 2.85 2.3 -42.77 1 7 1 96 439.513 6
Lo Low (pH 4.5-6) 2.67 0.86 -39.71 1 7 1 96 439.513 6

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Analogs ( Draw Identity 99% 90% 80% 70% )