UCSF

ZINC01290372

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2004 27 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) 3.59 6.83 -17.64 1 6 0 75 401.513 4
Mid Mid (pH 6-8) 4.05 5.59 -47.23 0 6 -1 78 400.505 4

Activity (Go SEA)

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