UCSF

ZINC20898743

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 21 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) 1.74 7.58 -13.26 1 4 0 47 277.327 4
Lo Low (pH 4.5-6) 1.74 8.02 -49.46 2 4 1 48 278.335 4

Activity (Go SEA)

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