UCSF

ZINC34572541

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 17 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 3.46 -53.24 1 6 -1 91 233.203 4
Mid Mid (pH 6-8) -1.00 4.77 -44.37 2 6 0 96 234.211 4

Activity (Go SEA)

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