UCSF

ZINC39896366

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 32 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.99 12.99 -8.01 1 5 0 73 445.588 7
Hi High (pH 8-9.5) 5.17 10.93 -43.06 0 5 -1 80 444.58 7

Activity (Go SEA)

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