UCSF

ZINC43415805

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 2.69 7.39 -47.48 3 3 1 55 288.459 8
Mid Mid (pH 6-8) 2.69 9.09 -131.72 4 3 2 56 289.467 8

Activity (Go SEA)

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