UCSF

ZINC20247195

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 17 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) 1.17 5.88 -97.59 2 5 1 62 236.295 2
Hi High (pH 8-9.5) 1.17 3.47 -46.22 0 5 -1 59 234.279 2
Mid Mid (pH 6-8) 1.17 5.7 -66.98 1 5 0 61 235.287 2

Activity (Go SEA)

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