UCSF

ZINC36887904

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 19 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) -0.22 0.31 -37.92 5 5 1 78 267.328 4
Mid Mid (pH 6-8) -0.22 2.57 -76.74 6 5 2 80 268.336 4

Activity (Go SEA)

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