UCSF

ZINC02043262

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 16 Yes

Other Names:

MFCD00213333

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) 1.17 -3.76 -8.09 2 6 0 78 219.248 1
Lo Low (pH 4.5-6) -3.18 -3.62 -32.53 3 6 1 80 220.256 1

Activity (Go SEA)

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