UCSF

ZINC41675996

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 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) 1.41 2.54 -45.23 3 5 1 74 299.416 3
Hi High (pH 8-9.5) 1.41 2.16 -7.66 2 5 0 73 298.408 3

Activity (Go SEA)

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