UCSF

ZINC44115512

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 18 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) 2.20 3.53 -5.07 1 3 0 33 249.354 3
Mid Mid (pH 6-8) 2.20 5.75 -38.41 2 3 1 34 250.362 3

Activity (Go SEA)

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