UCSF

ZINC08700577

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2007 18 Yes

Other Names:

MFCD06641516

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) 2.12 7.26 -19.77 1 4 0 59 245.278 4
Lo Low (pH 4.5-6) 3.42 5.37 -34.82 2 4 1 61 246.286 4

Activity (Go SEA)

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