UCSF

ZINC16741337

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 35 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) 2.16 7.17 -63.78 0 9 -1 107 482.509 10
Mid Mid (pH 6-8) 2.61 6.1 -31.76 1 9 0 104 483.517 9
Mid Mid (pH 6-8) 1.58 7.09 -28.5 0 9 0 101 483.517 10

Activity (Go SEA)

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