UCSF

ZINC32190181

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 20 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) -1.62 6.25 -106.39 1 9 -2 155 280.192 6
Lo Low (pH 4.5-6) -1.62 4.22 -50.47 2 9 -1 152 281.2 6

Activity (Go SEA)

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