UCSF

ZINC63191429

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2011 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) 0.22 2.82 -43.18 3 4 1 49 223.344 3
Mid Mid (pH 6-8) 0.22 4.69 -118.63 4 4 2 50 224.352 3

Activity (Go SEA)

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