UCSF

ZINC53156244

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) 3.57 7.16 -8.28 1 3 0 38 273.735 8
Mid Mid (pH 6-8) 3.57 8.52 -53.65 2 3 1 43 274.743 8

Activity (Go SEA)

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