UCSF

ZINC34529618

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 14 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) 2.38 7.38 -36.9 1 2 1 8 191.298 1
Mid Mid (pH 6-8) 2.38 5.03 -2.98 0 2 0 6 190.29 1

Activity (Go SEA)

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