UCSF

ZINC31996455

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 10 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) 0.78 0.82 -42.48 3 2 1 31 143.254 3
Lo Low (pH 4.5-6) 0.78 3.35 -111.17 4 2 2 32 144.262 3

Activity (Go SEA)

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