UCSF

ZINC42451427

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 15 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) 1.67 2.11 -2.59 1 3 0 33 213.321 2
Mid Mid (pH 6-8) 1.67 4.22 -27.84 2 3 1 34 214.329 2

Activity (Go SEA)

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