UCSF

ZINC32894974

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2009 30 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) 4.98 13.47 -25.62 1 6 0 69 418.522 6
Hi High (pH 8-9.5) 4.50 12.56 -56.44 0 6 -1 75 417.514 6

Activity (Go SEA)

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