UCSF

ZINC34416009

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 15 Yes

Other Names:

MFCD00798475

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) 0.82 4.19 -34.01 2 4 1 51 214.285 3
Hi High (pH 8-9.5) 0.82 2.83 -7.83 1 4 0 50 213.277 3

Activity (Go SEA)

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