UCSF

ZINC38579961

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 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) 1.23 5.07 -41.11 4 5 1 68 256.761 3

Activity (Go SEA)

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