UCSF

ZINC34867273

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 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) 3.82 10.85 -53.62 2 5 1 54 445.386 5
Mid Mid (pH 6-8) 3.82 8.7 -15.76 1 5 0 53 444.378 5

Activity (Go SEA)

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