UCSF

ZINC41727696

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 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) -0.75 3.75 -48.63 5 4 1 76 256.329 2
Hi High (pH 8-9.5) -0.75 3.43 -10.43 4 4 0 74 255.321 2

Activity (Go SEA)

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