UCSF

ZINC43231949

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 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) 2.12 4.66 -46.52 3 4 1 49 267.441 8
Lo Low (pH 4.5-6) 2.12 6.54 -119.1 4 4 2 50 268.449 8

Activity (Go SEA)

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