UCSF

ZINC32207944

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 21 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) 5.32 8.59 -7.95 1 3 0 45 314.797 2
Ref Reference (pH 7) 4.83 8.47 -39.31 0 3 -1 44 313.789 3

Activity (Go SEA)

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