UCSF

ZINC37300976

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 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) 3.04 6.49 -37.02 2 4 1 35 299.822 8
Mid Mid (pH 6-8) 3.05 5.71 -50.32 2 4 1 38 299.822 8

Activity (Go SEA)

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