UCSF

ZINC42875347

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 17 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) 1.63 4.64 -47.16 1 5 1 49 238.263 5
Hi High (pH 8-9.5) 1.63 2.12 -8.15 0 5 0 48 237.255 5

Activity (Go SEA)

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