UCSF

ZINC36081458

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2009 25 Yes

Other Names:

MFCD18172009

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) 3.98 10.23 -115.34 1 5 -2 92 333.343 3
Lo Low (pH 4.5-6) 3.98 8.25 -57.09 2 5 -1 89 334.351 3

Activity (Go SEA)

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