UCSF

ZINC27342911

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2009 30 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) 2.23 7.28 -44.49 2 7 1 68 411.526 7
Lo Low (pH 4.5-6) 2.23 7.56 -96.48 3 7 2 69 412.534 7

Activity (Go SEA)

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