UCSF

ZINC39908344

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 32 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 6.66 15.49 -13.88 0 4 0 36 422.528 9
Lo Low (pH 4.5-6) 6.66 16.16 -34.04 1 4 1 38 423.536 9

Activity (Go SEA)

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