UCSF

ZINC53070610

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2010 16 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) 2.33 3.63 -34.18 3 4 1 63 232.344 8
Mid Mid (pH 6-8) 2.33 2.64 -4.38 2 4 0 59 231.336 8

Activity (Go SEA)

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