UCSF

ZINC40154147

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2010 25 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) -0.27 2.86 -15.78 0 9 0 106 372.399 6
Lo Low (pH 4.5-6) -0.27 5.01 -54.01 1 9 1 108 373.407 6

Activity (Go SEA)

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