UCSF

ZINC20510517

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 21 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) 2.03 7.39 -48.18 3 3 1 46 292.443 5
Hi High (pH 8-9.5) 2.03 7.1 -2.64 2 3 0 44 291.435 5

Activity (Go SEA)

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