UCSF

ZINC53127710

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 1.45 2.73 -34.45 4 4 1 66 255.382 3
Mid Mid (pH 6-8) 1.45 1.4 -6.39 3 4 0 61 254.374 3

Activity (Go SEA)

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