UCSF

ZINC57411588

Substance Information

In ZINC since Heavy atoms Benign functionality
January 20th, 2011 32 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) 4.18 11.01 -23.72 1 6 0 59 446.938 6
Mid Mid (pH 6-8) 4.18 11.44 -36.64 2 6 1 61 447.946 6

Activity (Go SEA)

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