UCSF

ZINC32102954

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 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) 1.92 5.43 -44.98 3 3 1 46 248.346 6
Hi High (pH 8-9.5) 1.92 4.07 -7.37 2 3 0 41 247.338 6

Activity (Go SEA)

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