UCSF

ZINC29145661

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2009 26 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) 4.79 14.3 -37.7 1 4 1 35 387.96 6
Mid Mid (pH 6-8) 4.79 11.8 -8.18 0 4 0 34 386.952 6

Activity (Go SEA)

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