UCSF

ZINC22150504

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 20 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) 4.81 8.36 -35.9 3 2 1 29 281.508 4
Hi High (pH 8-9.5) 4.81 8.47 -31.35 3 2 1 29 281.508 4
Mid Mid (pH 6-8) 4.81 9.33 -102.08 4 2 2 33 282.516 4

Activity (Go SEA)

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