UCSF

ZINC32898894

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2009 25 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) 3.89 8.14 -18.49 1 4 0 58 357.475 4
Hi High (pH 8-9.5) 3.89 8.94 -48.09 0 4 -1 60 356.467 4

Activity (Go SEA)

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