UCSF

ZINC12430988

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 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) 3.12 -2.19 -15.39 1 5 0 68 347.349 4
Lo Low (pH 4.5-6) 3.12 -2.08 -50.56 2 5 1 69 348.357 4

Activity (Go SEA)

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