UCSF

ZINC32831206

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 25 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) 1.33 3.88 -44.85 3 7 1 81 352.455 13
Hi High (pH 8-9.5) 1.33 1.83 -17.44 2 7 0 80 351.447 13

Activity (Go SEA)

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