UCSF

ZINC34589215

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 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) 1.26 2.58 -28.62 6 4 1 82 175.215 1
Mid Mid (pH 6-8) 1.26 2.42 -6.23 5 4 0 81 174.207 1

Activity (Go SEA)

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