UCSF

ZINC19834773

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 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) 0.99 2.24 -51.27 4 4 1 60 236.339 6
Hi High (pH 8-9.5) 0.99 4.2 -42.8 4 4 1 60 236.339 6
Hi High (pH 8-9.5) 0.99 1.88 -11.3 3 4 0 58 235.331 6
Mid Mid (pH 6-8) 0.99 4.58 -113.26 5 4 2 61 237.347 6

Activity (Go SEA)

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