UCSF

ZINC37037921

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) -1.27 -0.3 -88.43 5 6 2 74 274.409 8
Hi High (pH 8-9.5) -1.27 -2.9 -8.09 3 6 0 71 272.393 8
Mid Mid (pH 6-8) -1.27 -0.65 -36.53 4 6 1 72 273.401 8
Mid Mid (pH 6-8) -1.27 -0.27 -108.43 5 6 2 74 274.409 8
Mid Mid (pH 6-8) -1.27 -2.53 -48.67 4 6 1 72 273.401 8

Activity (Go SEA)

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