UCSF

ZINC19360250

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 19 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) 3.76 9.14 -31.72 1 2 1 8 261.433 5
Hi High (pH 8-9.5) 3.76 7.14 -1.65 0 2 0 6 260.425 5
Mid Mid (pH 6-8) 3.76 9.46 -34.17 1 2 1 8 261.433 5

Activity (Go SEA)

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