UCSF

ZINC59494667

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2011 19 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -3.29 5.59 -97.02 3 7 -1 128 273.309 8
Hi High (pH 8-9.5) -3.29 4.95 -108.74 2 7 -2 127 272.301 8

Activity (Go SEA)

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