UCSF

ZINC42459378

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 17 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) 0.28 2.94 -34.1 4 5 1 77 237.327 5
Mid Mid (pH 6-8) 0.28 3.35 -26.71 4 5 1 76 237.327 5
Mid Mid (pH 6-8) 0.28 2.93 -6.72 3 5 0 75 236.319 5
Lo Low (pH 4.5-6) 0.28 3.38 -85.19 5 5 2 78 238.335 5

Activity (Go SEA)

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