UCSF

ZINC10010814

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2007 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) 1.77 -4.38 -18.14 4 6 0 97 326.381 3
Lo Low (pH 4.5-6) 1.77 -4.3 -48.61 5 6 1 98 327.389 3

Activity (Go SEA)

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