UCSF

ZINC12395446

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 13 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) 1.00 4.05 -7.97 2 4 0 57 174.207 1
Mid Mid (pH 6-8) 1.00 4.29 -32.6 3 4 1 58 175.215 1

Activity (Go SEA)

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