UCSF

ZINC37049387

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 0.73 4.5 -91.69 4 4 2 45 271.449 7
Hi High (pH 8-9.5) 0.73 2.69 -42.84 3 4 1 43 270.441 7
Lo Low (pH 4.5-6) 0.73 6.61 -175.11 5 4 3 46 272.457 7

Activity (Go SEA)

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