UCSF

ZINC06309105

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2006 28 No

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) 1.52 -1.91 -15.64 1 7 0 88 402.472 7
Mid Mid (pH 6-8) 0.94 -2.04 -22.6 0 7 0 85 402.472 7

Activity (Go SEA)

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