UCSF

ZINC40477035

Substance Information

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

Other Names:

MFCD18170385

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) 3.53 4.62 -41.51 3 4 1 55 308.785 6
Hi High (pH 8-9.5) 3.53 5.39 -29.02 2 4 0 58 307.777 6

Activity (Go SEA)

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