UCSF

ZINC32027058

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 18 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) -1.00 -0.46 -99.75 1 7 -2 118 251.242 5
Lo Low (pH 4.5-6) -1.45 0.31 -54.93 2 7 -1 115 252.25 5

Activity (Go SEA)

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