UCSF

ZINC37050026

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) -0.19 3.7 -88.36 4 5 2 56 272.437 8
Hi High (pH 8-9.5) -0.19 1.43 -46.3 3 5 1 54 271.429 8
Mid Mid (pH 6-8) -0.19 3.71 -92.2 4 5 2 56 272.437 8

Activity (Go SEA)

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