UCSF

ZINC04092303

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 23 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) 2.76 10.29 -10.84 0 3 0 33 316.351 4
Lo Low (pH 4.5-6) 2.76 9.37 -31.35 1 3 1 34 317.359 4

Activity (Go SEA)

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