UCSF

ZINC69286887

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2011 22 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) 3.02 8.32 -38.57 2 3 1 23 300.47 5
Hi High (pH 8-9.5) 3.02 7.07 -2.84 1 3 0 19 299.462 5
Mid Mid (pH 6-8) 3.02 10.11 -71.46 3 3 2 21 301.478 5
Mid Mid (pH 6-8) 3.02 9.48 -30.96 2 3 1 20 300.47 5

Activity (Go SEA)

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