UCSF

ZINC36679587

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 14 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) 1.20 5.28 -33.76 2 3 1 40 198.334 8
Hi High (pH 8-9.5) 1.20 3.16 -5.45 1 3 0 39 197.326 8
Mid Mid (pH 6-8) 1.20 4.37 -44.11 2 3 1 44 198.334 8
Lo Low (pH 4.5-6) 1.20 6.49 -114.88 3 3 2 45 199.342 8

Activity (Go SEA)

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