UCSF

ZINC32858088

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 35 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) 4.01 14.61 -62.12 2 7 1 72 472.613 6
Hi High (pH 8-9.5) 4.01 12.4 -23.25 1 7 0 70 471.605 6

Activity (Go SEA)

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