UCSF

ZINC09704198

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2007 32 No

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) 4.78 10.9 -34.34 2 6 0 84 445.544 5
Mid Mid (pH 6-8) 5.24 9.53 -62.56 1 6 -1 87 444.536 5

Activity (Go SEA)

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