UCSF

ZINC19843359

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 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) 0.42 2.28 -45.02 3 3 1 40 199.318 3
Hi High (pH 8-9.5) 0.42 4.17 -25.31 3 3 1 40 199.318 3
Mid Mid (pH 6-8) 0.42 4.19 -119.84 4 3 2 41 200.326 3

Activity (Go SEA)

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