UCSF

ZINC23744433

Substance Information

In ZINC since Heavy atoms Benign functionality
January 7th, 2009 22 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) 1.42 6.4 -9.78 1 5 0 53 305.422 6
Lo Low (pH 4.5-6) 1.42 7.14 -22.47 2 5 0 54 306.43 6

Activity (Go SEA)

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