UCSF

ZINC44724569

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 14 No

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 4.99 -39.38 2 3 1 34 217.72 3
Hi High (pH 8-9.5) 1.09 2.67 -36.29 1 3 0 40 216.712 3

Activity (Go SEA)

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