UCSF

ZINC27029258

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 21 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) 4.35 10.65 -10.88 0 3 0 27 274.323 3
Lo Low (pH 4.5-6) 4.35 11.06 -31.89 1 3 1 28 275.331 3

Activity (Go SEA)

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