UCSF

ZINC16735022

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 34 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) 2.70 9.04 -70.42 1 8 0 93 466.534 9
Hi High (pH 8-9.5) 2.70 6.76 -59.52 0 8 -1 91 465.526 9
Mid Mid (pH 6-8) 3.15 7.91 -55.02 2 8 1 90 467.542 8
Mid Mid (pH 6-8) 2.12 8.89 -57.78 1 8 1 87 467.542 9

Activity (Go SEA)

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