UCSF

ZINC36639273

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 25 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) 6.48 11.87 -16.76 1 3 0 42 500.643 4
Hi High (pH 8-9.5) 6.55 11.31 -48.99 0 3 -1 48 499.635 4

Activity (Go SEA)

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