UCSF

ZINC43609660

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 32 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) 5.05 15 -50.84 2 5 1 51 433.62 7
Hi High (pH 8-9.5) 5.05 12.76 -10.27 1 5 0 50 432.612 7

Activity (Go SEA)

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