UCSF

ZINC13731182

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 30 Yes

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) 2.70 5.79 -15.75 2 7 0 101 442.497 6
Hi High (pH 8-9.5) 2.70 5.85 -40.6 1 7 -1 103 441.489 6
Lo Low (pH 4.5-6) 3.63 6.4 -51.75 3 7 1 106 443.505 5
Lo Low (pH 4.5-6) 3.63 5.95 -15.58 2 7 0 104 442.497 5

Activity (Go SEA)

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