UCSF

ZINC29321221

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2009 22 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) -1.92 2.8 -112.59 7 9 2 142 316.406 12
Mid Mid (pH 6-8) -1.92 4.95 -208.28 8 9 3 144 317.414 12
Lo Low (pH 4.5-6) -1.92 5.43 -277.01 9 9 4 145 318.422 12

Activity (Go SEA)

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