UCSF

ZINC34591073

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 29 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) 3.53 9.87 -58.13 3 5 1 66 398.502 5
Mid Mid (pH 6-8) 3.53 7.63 -16.59 2 5 0 65 397.494 5

Activity (Go SEA)

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