UCSF

ZINC32030294

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 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) 2.60 8.24 -11.49 1 4 0 45 287.407 3
Lo Low (pH 4.5-6) 2.60 8.5 -40.42 2 4 1 46 288.415 3

Activity (Go SEA)

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