UCSF

ZINC12363321

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 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) 4.22 10.21 -35.63 1 3 1 17 331.524 5
Mid Mid (pH 6-8) 4.22 12.51 -109.01 2 3 2 18 332.532 5
Mid Mid (pH 6-8) 4.22 10.28 -39.74 1 3 1 17 331.524 5

Activity (Go SEA)

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