UCSF

ZINC22075594

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 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) -0.02 -0.56 -65.21 6 7 1 110 391.286 11
Mid Mid (pH 6-8) -0.02 0.77 -146.03 7 7 2 115 392.294 11
Lo Low (pH 4.5-6) -0.02 -0.57 -60.9 6 7 1 110 391.286 11

Activity (Go SEA)

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