UCSF

ZINC06474979

Substance Information

In ZINC since Heavy atoms Benign functionality
March 31st, 2006 17 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) 5.02 5.38 -7.17 1 3 0 45 291.148 2
Ref Reference (pH 7) 5.02 4.14 -7.49 1 3 0 45 291.148 2
Hi High (pH 8-9.5) 5.02 6.15 -45.47 0 3 -1 48 290.14 2
Hi High (pH 8-9.5) 5.02 4.9 -45.06 0 3 -1 48 290.14 2

Activity (Go SEA)

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