UCSF

ZINC37788321

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 21 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) 2.86 9.3 -32.93 2 4 1 43 297.463 5
Mid Mid (pH 6-8) 2.86 7.65 -37.26 2 4 1 46 297.463 5
Mid Mid (pH 6-8) 2.86 9.96 -107.13 3 4 2 47 298.471 5

Activity (Go SEA)

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