UCSF

ZINC34526729

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 31 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) 3.44 5.28 -16.08 2 9 0 108 445.497 9
Hi High (pH 8-9.5) 3.44 5.22 -44.63 1 9 -1 110 444.489 9

Activity (Go SEA)

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