UCSF

ZINC32104132

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 17 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) 1.84 8 -48.65 3 2 1 30 249.403 4
Hi High (pH 8-9.5) 1.84 5.65 -11.29 2 2 0 29 248.395 4

Activity (Go SEA)

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