UCSF

ZINC34699852

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2009 33 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) 5.59 17.91 -52.91 1 6 1 51 437.571 7
Hi High (pH 8-9.5) 5.59 15.44 -12.89 0 6 0 50 436.563 7

Activity (Go SEA)

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