UCSF

ZINC36170693

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 21 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) 1.73 7.49 -59.52 0 5 -1 64 295.403 4
Mid Mid (pH 6-8) 1.73 9.64 -72.83 1 5 0 65 296.411 4
Lo Low (pH 4.5-6) 1.73 7.64 -47.44 2 5 1 62 297.419 4

Activity (Go SEA)

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