UCSF

ZINC37184107

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 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) 1.98 5.96 -42.18 2 2 1 20 271.837 4
Hi High (pH 8-9.5) 1.98 4.78 -3.42 1 2 0 15 270.829 4
Mid Mid (pH 6-8) 1.98 7.26 -35.09 2 2 1 16 271.837 4
Lo Low (pH 4.5-6) 1.98 8.44 -122.97 3 2 2 21 272.845 4

Activity (Go SEA)

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