UCSF

ZINC02594580

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2004 26 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) 4.18 5.36 -11.83 2 6 0 84 370.43 5
Mid Mid (pH 6-8) 3.69 5.34 -46.96 1 6 -1 83 369.422 6
Lo Low (pH 4.5-6) 3.69 5.71 -18.25 2 6 0 81 370.43 6

Activity (Go SEA)

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