UCSF

ZINC37037933

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) -1.49 0.92 -94.66 4 6 2 65 272.393 5
Hi High (pH 8-9.5) -1.49 -1.64 -9.06 2 6 0 62 270.377 5
Mid Mid (pH 6-8) -1.49 0.63 -39.89 3 6 1 63 271.385 5
Mid Mid (pH 6-8) -1.49 1.02 -109.47 4 6 2 65 272.393 5
Mid Mid (pH 6-8) -1.49 -1.27 -48.04 3 6 1 64 271.385 5

Activity (Go SEA)

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