UCSF

ZINC68392767

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2011 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) 2.29 6.93 -56.05 3 4 1 51 298.288 6
Mid Mid (pH 6-8) 2.29 5.6 -12.65 2 4 0 46 297.28 6

Activity (Go SEA)

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