UCSF

ZINC34526988

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 32 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) 5.56 9.17 -13.31 2 7 0 90 447.516 8
Hi High (pH 8-9.5) 5.56 9.1 -44.65 1 7 -1 92 446.508 8

Activity (Go SEA)

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