UCSF

ZINC40477117

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 21 Yes

Other Names:

MFCD18170427

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) 2.82 5.73 -37.03 3 4 1 55 288.367 7
Hi High (pH 8-9.5) 2.82 4.32 -7.83 2 4 0 51 287.359 7

Activity (Go SEA)

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