UCSF

ZINC59480686

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2011 38 No

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) 5.24 17.5 -57.96 1 9 1 106 526.585 12
Mid Mid (pH 6-8) 5.24 15.12 -26.5 0 9 0 105 525.577 12

Activity (Go SEA)

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