UCSF

ZINC33982804

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2009 18 No

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) 0.25 2.3 -241.37 1 6 -3 124 327.236 5
Hi High (pH 8-9.5) 0.25 3.52 -405.82 0 6 -4 126 326.228 5
Mid Mid (pH 6-8) 0.25 1.29 -115.5 2 6 -2 121 328.244 5

Activity (Go SEA)

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