UCSF

ZINC28524943

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2009 25 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) 1.53 6.1 -56.52 3 5 1 65 344.431 6
Mid Mid (pH 6-8) 1.53 4.79 -11.51 2 5 0 60 343.423 6

Activity (Go SEA)

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