UCSF

ZINC08686357

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2007 35 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) 4.41 12.47 -30.99 3 7 0 80 470.597 9
Mid Mid (pH 6-8) 4.41 12.4 -17.41 2 7 0 79 469.589 9

Activity (Go SEA)

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