UCSF

ZINC44836137

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 20 Yes

Other Names:

MFCD18173505

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) 5.78 7.9 -3.93 2 2 0 32 334.257 6
Hi High (pH 8-9.5) 5.78 8.66 -37.34 1 2 -1 35 333.249 6

Activity (Go SEA)

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