UCSF

ZINC40972319

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 22 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) 1.88 8.35 -44.63 3 6 1 69 300.386 3
Mid Mid (pH 6-8) 1.88 8.71 -96.21 4 6 2 70 301.394 3
Mid Mid (pH 6-8) 1.88 5.99 -8.23 2 6 0 68 299.378 3

Activity (Go SEA)

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