UCSF

ZINC36159891

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 29 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) 2.38 7.46 -56.24 3 7 1 93 418.539 10
Hi High (pH 8-9.5) 2.84 4.83 -46.59 2 7 0 96 417.531 10

Activity (Go SEA)

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