UCSF

ZINC07844570

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2006 18 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) 4.09 7.74 -5.91 1 2 0 25 264.369 3
Lo Low (pH 4.5-6) 4.09 8.15 -25.79 2 2 1 26 265.377 3

Activity (Go SEA)

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