UCSF

ZINC08969201

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 24 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) 3.73 11.32 -11.82 1 6 0 73 323.352 4
Mid Mid (pH 6-8) 3.56 11.42 -30.69 2 6 1 71 324.36 4
Mid Mid (pH 6-8) 3.56 10.94 -12.1 1 6 0 69 323.352 4

Activity (Go SEA)

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