UCSF

ZINC45337364

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 24 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) -1.24 -1.32 -53.13 5 9 1 138 346.335 6
Hi High (pH 8-9.5) -0.78 -3.5 -56.69 3 9 -1 140 344.319 6
Mid Mid (pH 6-8) -1.24 -1.68 -13.51 4 9 0 137 345.327 6

Activity (Go SEA)

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