UCSF

ZINC37852201

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) -0.30 -0.75 -44.15 3 5 1 59 247.359 8
Hi High (pH 8-9.5) -0.30 -2.1 -5.6 2 5 0 54 246.351 8
Lo Low (pH 4.5-6) -0.30 0.15 -37.98 3 5 1 55 247.359 8

Activity (Go SEA)

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