UCSF

ZINC62065422

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 19 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) 1.40 3.59 -8.1 1 4 0 42 262.353 5
Lo Low (pH 4.5-6) 1.40 5.81 -32.79 2 4 1 43 263.361 5

Activity (Go SEA)

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