UCSF

ZINC12569443

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 24 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) 4.03 8.48 -41.01 2 4 1 42 342.488 5
Mid Mid (pH 6-8) 4.03 7.42 -50.04 2 4 1 46 342.488 5

Activity (Go SEA)

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