UCSF

ZINC01290384

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 26 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) 4.62 7.56 -17.24 2 5 0 75 387.53 6
Mid Mid (pH 6-8) 5.08 6.33 -47.4 1 5 -1 78 386.522 6

Activity (Go SEA)

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