UCSF

ZINC02579926

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 18 Yes

Other Names:

MFCD02260933

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) 4.05 9.83 -51.65 0 3 -1 57 288.15 7
Lo Low (pH 4.5-6) 4.05 7.86 -14.1 1 3 0 54 289.158 7

Activity (Go SEA)

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