UCSF

ZINC51550529

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 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) 3.60 8.3 -38.91 2 3 1 39 283.395 6
Mid Mid (pH 6-8) 3.60 6.93 -7.35 1 3 0 34 282.387 6

Activity (Go SEA)

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