UCSF

ZINC19365911

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 20 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) 1.99 5.96 -31.81 1 4 1 26 283.436 4
Mid Mid (pH 6-8) 1.99 3.65 -3.51 0 4 0 25 282.428 4

Activity (Go SEA)

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