UCSF

ZINC00405356

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 20 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) 2.66 1.66 -14.11 3 5 0 87 278.235 4
Hi High (pH 8-9.5) 2.66 3.38 -112.12 1 5 -2 93 276.219 4
Mid Mid (pH 6-8) 2.66 2.37 -36.37 2 5 -1 90 277.227 4

Activity (Go SEA)

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