UCSF

ZINC23339758

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 2008 28 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 3.42 12.02 -84.69 2 4 2 25 382.596 6
Hi High (pH 8-9.5) 3.42 9.89 -38.13 1 4 1 24 381.588 6
Mid Mid (pH 6-8) 3.42 14.22 -178.72 3 4 3 26 383.604 6
Lo Low (pH 4.5-6) 3.42 11.86 -104.67 2 4 2 25 382.596 6

Activity (Go SEA)

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