UCSF

ZINC04251276

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2005 30 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) 4.15 -1.28 -15.78 1 6 0 68 418.522 8
Mid Mid (pH 6-8) 4.15 -1.05 -38.52 2 6 1 69 419.53 8

Activity (Go SEA)

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