UCSF

ZINC05322296

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2006 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) 2.46 5.67 -17.67 0 5 0 67 384.498 3
Lo Low (pH 4.5-6) 2.46 6.49 -47.19 1 5 1 68 385.506 3

Activity (Go SEA)

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