UCSF

ZINC19795393

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 13 Yes

Other Names:

MFCD09026674

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) -0.01 0.04 -53.69 4 3 1 57 180.227 1
Hi High (pH 8-9.5) -0.01 -0.3 -7.59 3 3 0 55 179.219 1

Activity (Go SEA)

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