UCSF

ZINC32899929

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2009 26 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) 1.85 5.42 -36.45 1 9 -1 129 354.346 4
Lo Low (pH 4.5-6) 1.85 4.64 -21.38 2 9 0 126 355.354 4

Activity (Go SEA)

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