UCSF

ZINC74902606

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2012 20 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) 1.33 1.09 -13.11 3 7 0 91 282.344 2
Hi High (pH 8-9.5) 1.51 -1.55 -44.59 2 7 -1 97 281.336 2

Activity (Go SEA)

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