UCSF

ZINC34551814

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 16 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) 0.40 0.53 -51.67 4 5 1 75 225.268 6
Hi High (pH 8-9.5) 0.40 0.15 -8.06 3 5 0 74 224.26 6

Activity (Go SEA)

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