UCSF

ZINC40528161

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 21 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) 1.27 0.13 -9.81 1 6 0 68 314.407 6
Mid Mid (pH 6-8) 1.27 2.26 -45.89 2 6 1 69 315.415 6

Activity (Go SEA)

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