UCSF

ZINC36877227

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 1.22 5.39 -51.42 3 6 1 91 233.251 4
Hi High (pH 8-9.5) 1.22 3.99 -10.36 2 6 0 87 232.243 4
Hi High (pH 8-9.5) 1.22 4.98 -29.97 2 6 0 89 232.243 4

Activity (Go SEA)

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