UCSF

ZINC37112781

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) 2.21 3.68 -42.61 3 2 1 31 227.397 6
Hi High (pH 8-9.5) 2.21 3.43 -0.96 2 2 0 29 226.389 6
Lo Low (pH 4.5-6) 2.21 5.07 -115.49 4 2 2 32 228.405 6

Activity (Go SEA)

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