UCSF

ZINC39325749

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 14 Yes

Other Names:

MFCD11036005

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) 4.01 8.15 -9.73 0 2 0 17 253.143 1
Lo Low (pH 4.5-6) 4.01 8.43 -25.32 1 2 1 19 254.151 1

Activity (Go SEA)

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