UCSF

ZINC44670728

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2010 17 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) 1.21 4.47 -6.55 3 4 0 68 232.283 4
Mid Mid (pH 6-8) 1.21 4.74 -43.24 4 4 1 70 233.291 4

Activity (Go SEA)

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