UCSF

ZINC45655073

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) 3.45 9.81 -104.45 3 2 2 21 262.441 5
Hi High (pH 8-9.5) 3.45 6.4 -1.54 1 2 0 15 260.425 5
Mid Mid (pH 6-8) 3.45 8.79 -29.59 2 2 1 16 261.433 5
Lo Low (pH 4.5-6) 3.45 7.41 -35.9 2 2 1 20 261.433 5

Activity (Go SEA)

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