UCSF

ZINC33822190

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2009 19 Yes

Other Names:

MFCD18430554

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) 5.38 13.48 -48.46 0 2 -1 40 257.353 6
Lo Low (pH 4.5-6) 5.38 11.5 -11.46 1 2 0 37 258.361 6

Activity (Go SEA)

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