UCSF

ZINC57944880

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 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) 2.57 9.35 -39.59 4 8 1 98 380.428 3
Mid Mid (pH 6-8) 2.57 8.84 -18.55 3 8 0 96 379.42 3

Activity (Go SEA)

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