UCSF

ZINC00614285

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 23 Yes

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) 3.17 -1.94 -56.55 2 6 -1 98 317.365 5
Mid Mid (pH 6-8) 3.17 9.48 -13.4 1 6 0 68 396.487 5

Activity (Go SEA)

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