UCSF

ZINC00417896

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 23 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) 5.43 -0.11 -8.48 1 3 0 29 325.843 3
Mid Mid (pH 6-8) 1.70 0.07 -26.8 2 3 1 31 326.851 3

Activity (Go SEA)

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