UCSF

ZINC19702171

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 14 Yes

Other Names:

MFCD08282686

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) -0.66 3.26 -7.14 2 3 0 46 190.246 1
Ref Reference (pH 7) -0.66 3.26 -5.55 2 3 0 46 190.246 1
Mid Mid (pH 6-8) -0.66 3.57 -42.9 3 3 1 48 191.254 1

Activity (Go SEA)

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