UCSF

ZINC61819074

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 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) 3.69 7.41 -123.9 4 2 2 32 254.462 2
Mid Mid (pH 6-8) 3.69 6.94 -27.42 3 2 1 30 253.454 2

Activity (Go SEA)

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