UCSF

ZINC12529945

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 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) 3.66 11.15 -12.2 1 5 0 64 362.458 5
Mid Mid (pH 6-8) 3.66 11.6 -42.88 2 5 1 65 363.466 5

Activity (Go SEA)

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