UCSF

ZINC01251396

Substance Information

In ZINC since Heavy atoms Benign functionality
December 4th, 2005 23 No

Download: MOL2 SDF SMILES Flexibase

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) 0.76 1.57 -46.55 1 8 -1 103 317.325 4
Mid Mid (pH 6-8) 0.30 4.06 -8.52 2 8 0 100 318.333 4

Activity (Go SEA)

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