UCSF

ZINC31501848

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2009 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) 0.90 -0.05 -47.36 5 6 1 95 266.321 6
Hi High (pH 8-9.5) 0.87 -1.03 -111.05 4 6 2 87 265.313 6
Hi High (pH 8-9.5) 0.90 -1.42 -12.99 4 6 0 90 265.313 6

Activity (Go SEA)

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