UCSF

ZINC04600094

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2005 22 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) 5.03 13.11 -16.62 0 2 0 34 294.394 5
Hi High (pH 8-9.5) 6.22 11.95 -57.45 0 2 -1 40 293.386 4

Activity (Go SEA)

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