UCSF

ZINC12957011

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 16 Yes

Other Names:

MFCD08460462

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) 2.02 5.33 -53.65 2 3 1 43 219.239 1
Mid Mid (pH 6-8) 2.02 3.94 -6.86 1 3 0 38 218.231 1

Activity (Go SEA)

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