UCSF

ZINC45191921

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2010 35 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) 2.73 8.65 -46.42 4 8 1 96 492.673 9
Mid Mid (pH 6-8) 2.73 7.6 -54.37 4 8 1 100 492.673 9

Activity (Go SEA)

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