UCSF

ZINC00576864

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 21 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) 3.15 8.76 -14.44 0 4 0 39 275.311 3
Mid Mid (pH 6-8) 3.15 9.19 -31.63 1 4 1 41 276.319 3

Activity (Go SEA)

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