UCSF

ZINC32858118

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 19 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) 3.02 6.61 -38.47 2 4 1 47 265.377 5
Hi High (pH 8-9.5) 3.02 4.38 -8.25 1 4 0 45 264.369 5

Activity (Go SEA)

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