UCSF

ZINC39461571

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2010 26 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) 2.81 6.67 -37.52 2 4 1 37 359.465 7
Mid Mid (pH 6-8) 2.81 6.51 -35.71 2 4 1 37 359.465 7
Mid Mid (pH 6-8) 2.81 4.39 -6.55 1 4 0 36 358.457 7

Activity (Go SEA)

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