UCSF

ZINC33445310

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2009 32 No

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) 4.02 8.75 -13.05 2 5 0 101 427.458 3
Lo Low (pH 4.5-6) 4.02 11.1 -57.03 3 5 1 102 428.466 3

Activity (Go SEA)

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