UCSF

ZINC13141929

Substance Information

In ZINC since Heavy atoms Benign functionality
May 30th, 2008 28 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) 4.79 8.9 -15.43 2 6 0 84 373.412 3
Hi High (pH 8-9.5) 4.79 9.9 -66.17 1 6 -1 87 372.404 3
Hi High (pH 8-9.5) 4.79 9.73 -73.06 1 6 -1 87 372.404 3

Activity (Go SEA)

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