UCSF

ZINC05043574

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2006 20 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) 1.20 7.03 -42.68 1 4 -1 69 278.372 3
Mid Mid (pH 6-8) 2.74 8.51 -12.94 1 5 0 59 384.501 5

Activity (Go SEA)

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