UCSF

ZINC36327060

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 14 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) 0.90 3.22 -46.81 0 4 -1 53 200.258 4
Mid Mid (pH 6-8) 0.90 4.8 -38.23 1 4 0 54 201.266 4

Activity (Go SEA)

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