UCSF

ZINC34825336

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 20 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) 3.87 10.48 -41.42 2 3 1 34 331.237 4
Hi High (pH 8-9.5) 3.87 9.05 -7 1 3 0 30 330.229 4
Lo Low (pH 4.5-6) 3.87 10.96 -97.71 3 3 2 36 332.245 4

Activity (Go SEA)

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