UCSF

ZINC09423012

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 29 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) 3.54 1.54 -58.15 1 5 1 56 385.443 3
Lo Low (pH 4.5-6) 3.54 1.65 -125.94 2 5 2 58 386.451 3

Activity (Go SEA)

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