UCSF

ZINC00187913

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2005 14 No

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) -0.21 2.81 -13.68 2 4 0 62 205.242 1
Lo Low (pH 4.5-6) -0.21 3.11 -46.33 3 4 1 63 206.25 1

Activity (Go SEA)

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