UCSF

ZINC19884656

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 13 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) 1.76 4.51 -36.3 2 2 1 20 183.319 4
Lo Low (pH 4.5-6) 1.76 6.86 -99.65 3 2 2 21 184.327 4

Activity (Go SEA)

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