UCSF

ZINC13563556

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 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) 4.03 4.44 -12.89 3 6 0 95 374.194 2
Ref Reference (pH 7) 4.03 4.27 -17.31 3 6 0 95 374.194 2
Hi High (pH 8-9.5) 4.03 5.28 -58.51 2 6 -1 97 373.186 2
Hi High (pH 8-9.5) 4.49 2.38 -57.88 2 6 -1 98 373.186 2
Hi High (pH 8-9.5) 4.03 5.45 -54.67 2 6 -1 97 373.186 2
Hi High (pH 8-9.5) 4.49 2.68 -49.09 2 6 -1 98 373.186 2

Activity (Go SEA)

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