UCSF

ZINC34526989

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 28 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) 3.71 6.69 -57.09 2 8 -1 120 398.42 7
Hi High (pH 8-9.5) 3.71 6.62 -97.66 1 8 -2 123 397.412 7

Activity (Go SEA)

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