UCSF

ZINC44115467

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 19 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) 2.27 4.28 -4.3 1 3 0 33 261.365 2
Mid Mid (pH 6-8) 2.27 5.75 -36.67 2 3 1 34 262.373 2

Activity (Go SEA)

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