UCSF

ZINC09193161

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2007 34 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) 3.67 11.03 -14.74 0 8 0 91 458.47 5
Lo Low (pH 4.5-6) 3.67 3.16 -40.71 1 8 1 92 459.478 5

Activity (Go SEA)

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