UCSF

ZINC35039116

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 4.75 12.22 -34.73 1 3 1 31 292.443 11
Hi High (pH 8-9.5) 4.75 9.72 -9.56 0 3 0 30 291.435 11

Activity (Go SEA)

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