UCSF

ZINC37857554

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2009 33 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) 3.03 7.08 -45.17 2 8 1 86 455.531 6
Hi High (pH 8-9.5) 3.03 5.28 -42.66 0 8 -1 87 453.515 6
Mid Mid (pH 6-8) 3.03 6.99 -43.18 2 8 1 86 455.531 6
Mid Mid (pH 6-8) 3.03 4.71 -10.19 1 8 0 85 454.523 6

Activity (Go SEA)

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