UCSF

ZINC08858549

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2007 32 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) 1.32 6.94 -60.19 2 8 1 93 438.504 8
Mid Mid (pH 6-8) 0.74 7.64 -69.67 1 8 1 90 438.504 8
Lo Low (pH 4.5-6) 1.32 7.23 -109.47 3 8 2 95 439.512 8
Lo Low (pH 4.5-6) 0.74 7.93 -124.09 2 8 2 91 439.512 8

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