UCSF

ZINC34617151

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 12 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) 2.04 6.17 -2.13 1 1 0 12 161.248 0
Mid Mid (pH 6-8) 2.04 6.34 -32.13 2 1 1 17 162.256 0

Activity (Go SEA)

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