UCSF

ZINC32902192

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2009 28 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) 2.55 6.54 -22.97 2 7 0 89 409.393 6
Hi High (pH 8-9.5) 2.37 5.46 -46.57 1 7 -1 95 408.385 6

Activity (Go SEA)

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