UCSF

ZINC37337704

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 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) 1.10 -0.05 -10.56 2 5 0 70 251.282 3
Hi High (pH 8-9.5) 1.10 0.96 -52.79 1 5 -1 73 250.274 3
Hi High (pH 8-9.5) 1.10 0.73 -43.7 1 5 -1 73 250.274 3
Lo Low (pH 4.5-6) 1.10 2.06 -41.68 3 5 1 71 252.29 3

Activity (Go SEA)

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