UCSF

ZINC13127505

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 24 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) 2.79 10.66 -10.41 3 6 0 78 321.384 3
Mid Mid (pH 6-8) 2.79 11.1 -35.35 4 6 1 79 322.392 3

Activity (Go SEA)

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