UCSF

ZINC48314909

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2010 23 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) 2.64 2.51 -10.78 2 6 0 71 322.405 6
Hi High (pH 8-9.5) 2.64 3.51 -54.07 1 6 -1 74 321.397 6
Mid Mid (pH 6-8) 2.64 4.53 -46.82 3 6 1 72 323.413 6

Activity (Go SEA)

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