UCSF

ZINC36732057

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 19 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) 1.38 5.7 -114.05 5 4 2 61 263.385 7
Mid Mid (pH 6-8) 1.38 5.32 -37.47 4 4 1 60 262.377 7

Activity (Go SEA)

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