UCSF

ZINC37049794

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 0.46 1.3 -87.96 5 5 2 65 281.4 6
Mid Mid (pH 6-8) 0.46 -1.07 -49.71 4 5 1 64 280.392 6

Activity (Go SEA)

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