UCSF

ZINC02333858

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2005 25 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) 3.88 3.29 -11.29 3 6 0 95 356.403 4
Mid Mid (pH 6-8) 3.39 3.24 -49.19 2 6 -1 94 355.395 5
Lo Low (pH 4.5-6) 3.39 3.67 -19.43 3 6 0 92 356.403 5

Activity (Go SEA)

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