UCSF

ZINC36804573

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 16 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) 1.69 6.15 -29.05 2 3 1 31 236.726 4
Hi High (pH 8-9.5) 1.69 5.69 -10 1 3 0 30 235.718 4
Mid Mid (pH 6-8) 1.69 7.08 -42.59 2 3 1 34 236.726 4
Mid Mid (pH 6-8) 1.69 7.53 -104.98 3 3 2 36 237.734 4

Activity (Go SEA)

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