UCSF

ZINC47219079

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2010 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) 3.45 8.8 -48.37 2 3 1 43 268.352 7
Hi High (pH 8-9.5) 3.45 7.42 -5.11 1 3 0 38 267.344 7

Activity (Go SEA)

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