UCSF

ZINC05691050

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 30 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) 7.63 15.91 -9.62 1 2 0 29 386.498 4
Mid Mid (pH 6-8) 7.63 16.3 -28.82 2 2 1 30 387.506 4

Activity (Go SEA)

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