UCSF

ZINC34699024

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 36 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) 6.02 16.81 -63.27 1 4 1 28 488.671 9
Mid Mid (pH 6-8) 6.02 14.29 -12.11 0 4 0 27 487.663 9

Activity (Go SEA)

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