UCSF

ZINC00470345

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 23 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) 3.84 8.37 -11.16 2 4 0 58 330.815 5
Mid Mid (pH 6-8) 3.97 4.21 -9.86 2 4 0 65 330.815 5

Activity (Go SEA)

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