UCSF

ZINC25354991

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2009 22 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) 3.95 6.62 -32.78 4 4 1 69 318.466 3
Mid Mid (pH 6-8) 3.95 6.22 -8.99 3 4 0 68 317.458 3

Activity (Go SEA)

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