UCSF

ZINC19721788

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2008 12 Yes

Other Names:

MFCD02684177

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) 1.18 4.4 -31.85 1 2 1 8 169.292 3
Mid Mid (pH 6-8) 1.18 6.93 -104.6 2 2 2 9 170.3 3

Activity (Go SEA)

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