UCSF

ZINC36777261

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 18 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) -0.13 2.99 -124.36 4 4 2 48 250.39 4
Hi High (pH 8-9.5) -0.13 3.12 -36.89 3 4 1 47 249.382 4
Hi High (pH 8-9.5) -0.13 3.5 -108.07 4 4 2 48 250.39 4
Mid Mid (pH 6-8) -0.14 3.56 -176.14 5 4 3 49 251.398 4
Mid Mid (pH 6-8) -0.13 1.1 -43.28 3 4 1 47 249.382 4

Activity (Go SEA)

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