UCSF

ZINC34869450

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 29 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) 5.04 13.17 -17.84 1 7 0 112 387.395 6
Hi High (pH 8-9.5) 5.22 10.86 -65.38 0 7 -1 118 386.387 6

Activity (Go SEA)

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