UCSF

ZINC04269567

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 5.13 8.03 -7.79 1 2 0 25 304.315 3
Lo Low (pH 4.5-6) 5.13 8.42 -22.09 2 2 1 26 305.323 3

Activity (Go SEA)

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