UCSF

ZINC57570565

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2011 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) 3.56 9.65 -31.8 1 3 1 31 254.394 4
Mid Mid (pH 6-8) 3.56 7.58 -3.69 0 3 0 30 253.386 4

Activity (Go SEA)

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