UCSF

ZINC41503243

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 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) 2.41 9.97 -17.53 0 5 0 49 310.401 2
Lo Low (pH 4.5-6) 2.41 10.43 -32.31 1 5 1 51 311.409 2

Activity (Go SEA)

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