UCSF

ZINC20304376

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 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) 3.99 4.87 -14.74 2 3 0 49 300.116 2
Mid Mid (pH 6-8) 3.99 5.53 -43.78 1 3 -1 52 299.108 2

Activity (Go SEA)

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