UCSF

ZINC40477127

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 20 Yes

Other Names:

MFCD18170435

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) 3.21 6.04 -53.55 3 3 1 46 296.749 5
Hi High (pH 8-9.5) 3.21 4.67 -7.8 2 3 0 41 295.741 5

Activity (Go SEA)

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