UCSF

ZINC16993871

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2008 31 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) 3.94 8.26 -10.9 2 6 0 82 430.895 4
Hi High (pH 8-9.5) 3.91 9.47 -42.2 0 6 -1 81 429.887 4
Hi High (pH 8-9.5) 3.91 9.01 -51.76 0 6 -1 81 429.887 4
Hi High (pH 8-9.5) 3.94 9.24 -35.49 1 6 -1 85 429.887 4
Mid Mid (pH 6-8) 3.94 9.03 -48.4 1 6 -1 85 429.887 4
Lo Low (pH 4.5-6) 3.94 9.44 -37.32 3 6 1 83 431.903 4

Activity (Go SEA)

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