UCSF

ZINC39886267

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 22 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) 3.06 7.18 -52.82 1 6 -1 98 313.314 3
Mid Mid (pH 6-8) 3.52 5.66 -107.25 0 6 -2 102 312.306 3
Lo Low (pH 4.5-6) 3.32 6.51 -104.83 0 6 -2 97 312.306 4

Activity (Go SEA)

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