UCSF

ZINC19855251

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 28 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) 2.62 8 -18.51 1 6 0 63 369.428 3
Mid Mid (pH 6-8) 2.62 8.39 -37.28 2 6 1 64 370.436 3

Activity (Go SEA)

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