UCSF

ZINC35512334

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 30 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) 2.65 10.26 -12.6 0 6 0 49 402.498 3
Mid Mid (pH 6-8) 2.65 10.74 -41.5 1 6 1 50 403.506 3

Activity (Go SEA)

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