UCSF

ZINC41189651

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 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) 2.81 7.69 -31.75 2 2 1 29 259.398 3
Mid Mid (pH 6-8) 2.81 6.47 -4.51 1 2 0 25 258.39 3

Activity (Go SEA)

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