UCSF

ZINC09348822

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2007 28 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) 1.87 5.72 -14.95 2 8 0 103 401.444 6
Mid Mid (pH 6-8) 2.51 1.1 -51.73 1 8 -1 109 400.436 6
Lo Low (pH 4.5-6) 2.06 3.01 -15.87 2 8 0 106 401.444 6

Activity (Go SEA)

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