UCSF

ZINC27649560

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 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) -0.52 1.06 -41.18 4 6 0 106 252.27 7
Hi High (pH 8-9.5) -0.52 0.72 -46.03 3 6 -1 104 251.262 7

Activity (Go SEA)

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