UCSF

ZINC39254136

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 27 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) 2.50 5.44 -43.12 3 5 1 60 376.565 10
Mid Mid (pH 6-8) 2.50 7.73 -97.58 4 5 2 61 377.573 10

Activity (Go SEA)

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