UCSF

ZINC36682540

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 20 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) 1.78 4.4 -57.33 4 4 1 66 275.303 5
Hi High (pH 8-9.5) 1.78 3.96 -10.53 3 4 0 64 274.295 5

Activity (Go SEA)

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