UCSF

ZINC37977792

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 20 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) 0.78 6.4 -47.19 2 5 1 55 275.376 5
Mid Mid (pH 6-8) 0.78 5.77 -32.75 2 5 1 51 275.376 5
Mid Mid (pH 6-8) 0.78 5.32 -17.43 1 5 0 50 274.368 5
Lo Low (pH 4.5-6) 0.78 6.98 -109.03 3 5 2 56 276.384 5

Activity (Go SEA)

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