UCSF

ZINC40994823

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2010 19 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) 4.67 8.81 -39.46 2 2 1 29 275.441 5
Hi High (pH 8-9.5) 4.67 7.59 -4.95 1 2 0 25 274.433 5

Activity (Go SEA)

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