UCSF

ZINC40477078

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 19 Yes

Other Names:

MFCD18170407

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) 4.07 6.97 -39.53 3 2 1 37 319.222 3
Hi High (pH 8-9.5) 4.07 5.77 -4.13 2 2 0 32 318.214 3
Hi High (pH 8-9.5) 4.07 7.72 -25.4 2 2 0 40 318.214 3

Activity (Go SEA)

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