UCSF

ZINC45695133

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) 3.16 9.78 -81.83 3 3 2 24 283.435 8
Hi High (pH 8-9.5) 3.16 7.31 -40.06 2 3 1 23 282.427 8

Activity (Go SEA)

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