UCSF

ZINC37843398

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) 1.89 0.77 -43.45 1 6 -1 94 360.264 7
Hi High (pH 8-9.5) 1.89 0.94 -102.22 0 6 -2 96 359.256 7
Mid Mid (pH 6-8) 1.89 0.72 -17.88 2 6 0 92 361.272 7
Mid Mid (pH 6-8) 1.89 0.86 -41 1 6 -1 94 360.264 7

Activity (Go SEA)

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