UCSF

ZINC40162411

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2010 20 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) 2.49 4.41 -47.22 1 6 -1 102 315.327 4
Mid Mid (pH 6-8) 1.56 4.12 -113.86 0 6 -2 101 314.319 5

Activity (Go SEA)

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