UCSF

ZINC35476229

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 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) 1.72 4.89 -7.92 2 4 0 58 263.247 1
Mid Mid (pH 6-8) 1.72 4.85 -8.74 2 4 0 58 263.247 1

Activity (Go SEA)

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