UCSF

ZINC19782353

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 36 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) 2.65 3.31 -16.41 2 10 0 118 502.564 14
Mid Mid (pH 6-8) 2.65 5.62 -54.73 3 10 1 119 503.572 14

Activity (Go SEA)

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