UCSF

ZINC32503739

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 25 No

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) 2.85 4.93 -15.09 0 5 0 67 400.953 4
Lo Low (pH 4.5-6) 2.85 6.32 -39.63 1 5 1 68 401.961 4

Activity (Go SEA)

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