UCSF

ZINC45647646

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 No

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) 1.09 6.15 -15.18 2 5 0 68 267.354 7
Mid Mid (pH 6-8) 1.09 6.54 -44.95 3 5 1 70 268.362 7

Activity (Go SEA)

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