UCSF

ZINC34549762

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 15 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) 0.33 1.51 -53.8 3 4 1 55 208.237 0
Hi High (pH 8-9.5) 0.33 1.19 -6.46 2 4 0 54 207.229 0

Activity (Go SEA)

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