UCSF

ZINC19900145

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 32 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) 3.87 15.04 -173.54 3 4 3 17 435.68 6
Hi High (pH 8-9.5) 3.87 10.52 -37.41 1 4 1 14 433.664 6
Mid Mid (pH 6-8) 3.87 12.77 -83.19 2 4 2 15 434.672 6
Mid Mid (pH 6-8) 3.87 12.93 -88.58 2 4 2 15 434.672 6

Activity (Go SEA)

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