UCSF

ZINC04855239

Substance Information

In ZINC since Heavy atoms Benign functionality
January 8th, 2006 27 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) 1.03 5.4 -13.34 3 10 0 127 372.385 6
Ref Reference (pH 7) 1.03 5.07 -10.96 3 10 0 127 372.385 6
Hi High (pH 8-9.5) 1.34 2.35 -51.8 3 10 -1 129 371.377 7
Hi High (pH 8-9.5) 1.03 5.79 -41.95 2 10 -1 129 371.377 6

Activity (Go SEA)

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