UCSF

ZINC05737797

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2006 25 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) 2.38 7.17 -61.76 1 6 -1 87 356.427 5
Mid Mid (pH 6-8) 2.44 6.09 -149.16 0 6 -2 93 355.419 5

Activity (Go SEA)

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