UCSF

ZINC32095437

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 23 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) 2.97 6.38 -15.08 1 6 0 82 335.381 8
Hi High (pH 8-9.5) 2.97 6.45 -48.92 0 6 -1 84 334.373 8

Activity (Go SEA)

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