UCSF

ZINC42877559

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 20 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) 1.10 3.53 -50.01 3 5 1 68 273.312 5
Lo Low (pH 4.5-6) 1.10 3.99 -101.53 4 5 2 69 274.32 5

Activity (Go SEA)

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