UCSF

ZINC20573156

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 28 No

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) 2.89 8.46 -46.79 1 6 1 56 381.452 4
Hi High (pH 8-9.5) 2.89 5.55 -12.66 0 6 0 55 380.444 4
Mid Mid (pH 6-8) 2.88 7.67 -46.41 1 6 1 56 381.452 4
Lo Low (pH 4.5-6) 2.88 10.53 -115.88 2 6 2 58 382.46 4

Activity (Go SEA)

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