UCSF

ZINC31601749

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2009 27 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) 1.46 7.18 -21.85 2 6 0 78 362.433 6
Lo Low (pH 4.5-6) 1.46 7.59 -43.08 3 6 1 79 363.441 6

Activity (Go SEA)

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