UCSF

ZINC34580971

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 8 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) -1.01 1.16 -45.6 2 3 1 37 115.156 0
Mid Mid (pH 6-8) -1.01 -0.34 -8.03 1 3 0 32 114.148 0

Activity (Go SEA)

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