UCSF

ZINC32728639

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 2009 30 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) 2.94 11.48 -64.69 2 5 1 54 412.529 6
Hi High (pH 8-9.5) 2.94 9.35 -18.78 1 5 0 53 411.521 6

Activity (Go SEA)

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