UCSF

ZINC41688693

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 19 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) 0.95 0.14 -7.13 1 6 0 67 284.385 5
Mid Mid (pH 6-8) 0.95 3.69 -37.44 2 6 1 69 285.393 5

Activity (Go SEA)

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