UCSF

ZINC34526964

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 25 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) 2.79 1.11 -13.13 4 7 0 112 357.391 5
Hi High (pH 8-9.5) 2.79 1.07 -44.08 3 7 -1 114 356.383 5

Activity (Go SEA)

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