UCSF

ZINC62545585

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2011 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) 2.79 5.64 -11.81 1 4 0 62 262.334 3
Mid Mid (pH 6-8) 2.61 4.91 -46.57 0 4 -1 61 261.326 4

Activity (Go SEA)

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