UCSF

ZINC37796289

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 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) 0.55 6.64 -68.18 2 5 0 74 252.314 4
Lo Low (pH 4.5-6) 0.55 4.64 -39.96 3 5 1 71 253.322 4

Activity (Go SEA)

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