UCSF

ZINC13657684

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 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) 1.57 5.45 -15.03 2 6 0 65 342.49 6
Hi High (pH 8-9.5) 2.25 5.29 -44.09 1 6 -1 65 341.482 5
Hi High (pH 8-9.5) 2.25 4.82 -41.95 1 6 -1 65 341.482 5

Activity (Go SEA)

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