UCSF

ZINC33821197

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 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) 1.58 0.33 -7.49 2 4 0 47 298.386 0
Mid Mid (pH 6-8) 1.58 2.98 -36.02 3 4 1 48 299.394 0

Activity (Go SEA)

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