UCSF

ZINC51597375

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2010 18 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) 2.94 9.85 -37.25 1 3 1 31 244.362 3
Mid Mid (pH 6-8) 2.94 7.65 -5.68 0 3 0 30 243.354 3

Activity (Go SEA)

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