UCSF

ZINC02488404

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 25 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) 4.36 6.98 -11.69 3 4 0 68 369.446 3
Lo Low (pH 4.5-6) 4.36 7.32 -34.96 4 4 1 69 370.454 3

Activity (Go SEA)

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