UCSF

ZINC03151485

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 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) 3.91 -0.89 -9.98 1 4 0 51 316.426 8
Lo Low (pH 4.5-6) 3.91 -0.75 -40.53 2 4 1 52 317.434 8

Activity (Go SEA)

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