UCSF

ZINC20053597

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 17 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) -1.31 -0.43 -58.83 3 6 1 82 241.315 7
Hi High (pH 8-9.5) -1.31 -1.82 -18.43 2 6 0 77 240.307 7
Lo Low (pH 4.5-6) -1.31 1.97 -135.33 4 6 2 83 242.323 7

Activity (Go SEA)

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