UCSF

ZINC19775754

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2008 21 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) 3.44 7.69 -36.5 4 4 1 60 312.865 7
Hi High (pH 8-9.5) 3.44 6.2 -7.6 3 4 0 58 311.857 7

Activity (Go SEA)

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