UCSF

ZINC09319290

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 24 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) 3.17 6.05 -15.21 2 6 0 74 321.384 3
Hi High (pH 8-9.5) 3.17 6.13 -44.36 1 6 -1 72 320.376 3
Lo Low (pH 4.5-6) 3.17 6.69 -42.98 3 6 1 75 322.392 3

Activity (Go SEA)

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