UCSF

ZINC24718220

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2009 22 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) 2.11 6.9 -21.75 1 6 0 87 295.298 3
Hi High (pH 8-9.5) 2.11 6.13 -36.78 0 6 -1 89 294.29 3

Activity (Go SEA)

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