UCSF

ZINC32801347

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 21 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) 3.83 11.14 -34.38 1 3 0 45 348.24 5
Hi High (pH 8-9.5) 3.83 9.13 -48.91 0 3 -1 43 347.232 5

Activity (Go SEA)

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