UCSF

ZINC32962455

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2009 33 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) 4.69 8.91 -17.4 1 6 0 70 469.651 9
Mid Mid (pH 6-8) 4.69 11.16 -61.28 2 6 1 71 470.659 9

Activity (Go SEA)

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