UCSF

ZINC04737284

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 23 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) 3.83 8.28 -11.92 2 5 0 70 324.409 3
Hi High (pH 8-9.5) 3.83 9.04 -54.06 1 5 -1 73 323.401 3
Mid Mid (pH 6-8) 3.83 8.63 -37.91 3 5 1 72 325.417 3

Activity (Go SEA)

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