UCSF

ZINC36878950

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.38 6.84 -38.25 3 4 1 49 291.415 3
Mid Mid (pH 6-8) 0.38 7.21 -138.14 4 4 2 51 292.423 3

Activity (Go SEA)

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