UCSF

ZINC33681441

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 38 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) 8.62 17.49 -27.75 2 5 1 57 524.607 9
Mid Mid (pH 6-8) 8.62 17.19 -17.21 1 5 0 56 523.599 9
Mid Mid (pH 6-8) 8.62 17.73 -46.63 2 5 1 60 524.607 9
Lo Low (pH 4.5-6) 8.62 18.03 -98.35 3 5 2 61 525.615 9

Activity (Go SEA)

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