UCSF

ZINC34763536

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2009 14 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) 1.70 3.31 -24.44 4 4 1 57 197.306 3
Mid Mid (pH 6-8) 1.70 3.19 -5.93 3 4 0 56 196.298 3

Activity (Go SEA)

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