UCSF

ZINC44264218

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 18 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) 3.34 6 -9.73 3 4 0 68 279.13 1
Hi High (pH 8-9.5) 3.34 4.82 -38.16 2 4 -1 66 278.122 1

Activity (Go SEA)

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