UCSF

ZINC08448568

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2006 33 Yes

Other Names:

MFCD01451679

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.66 -1.47 -43.89 3 6 1 72 459.595 4
Lo Low (pH 4.5-6) 4.66 -1.36 -84.68 4 6 2 74 460.603 4

Activity (Go SEA)

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