UCSF

ZINC35151045

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2009 14 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) 0.93 5.52 -97.55 3 3 2 30 202.342 6
Mid Mid (pH 6-8) 0.93 3.03 -36.55 2 3 1 29 201.334 6
Mid Mid (pH 6-8) 0.93 4.17 -32.59 2 3 1 26 201.334 6

Activity (Go SEA)

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