UCSF

ZINC49168839

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2010 23 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) 4.37 7.01 -8.58 0 3 0 29 306.409 3
Mid Mid (pH 6-8) 4.37 9.44 -42.97 1 3 1 30 307.417 3

Activity (Go SEA)

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