UCSF

ZINC06204705

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2006 29 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) 3.52 11.3 -13.01 1 9 0 100 401.467 10
Lo Low (pH 4.5-6) 3.70 11.45 -34.83 2 9 1 105 402.475 10

Activity (Go SEA)

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