UCSF

ZINC00538814

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 19 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) 1.70 0.39 -41.28 1 6 -1 87 258.257 4
Mid Mid (pH 6-8) 1.70 -2.47 -14.75 2 6 0 84 259.265 4

Activity (Go SEA)

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