UCSF

ZINC53125606

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 2.64 6.26 -96.47 4 3 2 41 270.461 5
Mid Mid (pH 6-8) 2.64 5.45 -31.9 3 3 1 37 269.453 5
Mid Mid (pH 6-8) 2.64 3.97 -33.15 3 3 1 40 269.453 5

Activity (Go SEA)

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