UCSF

ZINC39896542

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2010 34 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) 4.25 12.44 -11.95 1 6 0 86 475.545 6
Hi High (pH 8-9.5) 4.43 10.4 -46.76 0 6 -1 93 474.537 6

Activity (Go SEA)

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