UCSF

ZINC36854954

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 16 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 3.82 -39.89 2 6 0 94 228.248 5
Hi High (pH 8-9.5) -2.11 2.89 -52.23 1 6 -1 90 227.24 5
Mid Mid (pH 6-8) -2.11 2.9 -45.2 1 6 -1 90 227.24 5

Activity (Go SEA)

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