UCSF

ZINC19526407

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 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) 0.96 5.16 -38.73 2 4 1 37 242.387 7
Hi High (pH 8-9.5) 0.96 2.96 -7.68 1 4 0 36 241.379 7
Mid Mid (pH 6-8) 0.96 4.2 -37.37 2 4 1 40 242.387 7
Lo Low (pH 4.5-6) 0.96 6.15 -111.16 3 4 2 41 243.395 7

Activity (Go SEA)

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