UCSF

ZINC00135927

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 23 Yes

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) 5.32 0.32 -54.56 1 4 -1 65 305.357 3
Lo Low (pH 4.5-6) 5.32 0.41 -66.93 2 4 0 66 306.365 3

Activity (Go SEA)

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