UCSF

ZINC12525751

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 22 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) 2.55 9.85 -11.49 1 5 0 60 292.342 4
Mid Mid (pH 6-8) 2.55 10.34 -42.46 2 5 1 61 293.35 4

Activity (Go SEA)

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