UCSF

ZINC32062288

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 24 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) 1.05 7.73 -29.23 1 6 0 75 342.424 3
Hi High (pH 8-9.5) 1.24 6.67 -50.34 0 6 -1 82 341.416 3

Activity (Go SEA)

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