UCSF

ZINC34541734

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 21 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) 5.03 4.47 -5.93 1 3 0 42 358.53 3
Hi High (pH 8-9.5) 5.03 5.23 -35.41 0 3 -1 45 357.522 3

Activity (Go SEA)

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