UCSF

ZINC36326603

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 17 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) 1.76 2.57 -48.1 3 4 1 57 241.355 2
Mid Mid (pH 6-8) 1.76 2.33 -5.62 2 4 0 56 240.347 2

Activity (Go SEA)

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