UCSF

ZINC49514542

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 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) 2.05 9.9 -32.12 1 3 1 25 283.395 6
Mid Mid (pH 6-8) 2.05 7.81 -6.72 0 3 0 24 282.387 6

Activity (Go SEA)

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