UCSF

ZINC19801746

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 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) 5.36 12.61 -39.92 1 2 1 8 371.545 2
Mid Mid (pH 6-8) 5.36 10.14 -2.94 0 2 0 6 370.537 2
Mid Mid (pH 6-8) 5.36 11.75 -37.21 1 2 1 8 371.545 2

Activity (Go SEA)

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