UCSF

ZINC45202970

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2010 29 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) 4.60 12.42 -10.4 1 4 0 45 389.474 4
Mid Mid (pH 6-8) 4.60 12.78 -44.88 2 4 1 46 390.482 4

Activity (Go SEA)

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