UCSF

ZINC05817634

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 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) 3.91 4.86 -10.12 2 5 0 67 310.353 5
Hi High (pH 8-9.5) 3.91 5.65 -45.58 1 5 -1 70 309.345 5
Mid Mid (pH 6-8) 3.91 5.64 -57.31 1 5 -1 70 309.345 5

Activity (Go SEA)

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