UCSF

ZINC04123198

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 22 Yes

Other Names:

MFCD01962619

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) 3.74 -1.88 -9.5 2 4 0 59 317.458 3
Lo Low (pH 4.5-6) 3.74 -1.82 -31.89 3 4 1 60 318.466 3

Activity (Go SEA)

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