UCSF

ZINC20393952

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 30 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) 3.12 7.67 -50.61 2 7 1 77 411.478 5
Hi High (pH 8-9.5) 3.12 5.89 -46.81 0 7 -1 78 409.462 5
Mid Mid (pH 6-8) 3.12 5.31 -13.97 1 7 0 75 410.47 5
Mid Mid (pH 6-8) 3.12 7.58 -50.59 2 7 1 77 411.478 5

Activity (Go SEA)

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