UCSF

ZINC56894974

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2011 15 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) 0.08 4.15 -48.08 3 5 1 68 205.241 3
Hi High (pH 8-9.5) 0.08 3.94 -8.87 2 5 0 66 204.233 3

Activity (Go SEA)

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