UCSF

ZINC41719107

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 21 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) 1.81 7.33 -36.35 2 5 0 79 279.299 4
Lo Low (pH 4.5-6) 1.81 7.25 -49.44 3 5 1 80 280.307 4

Activity (Go SEA)

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