UCSF

ZINC40554994

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 30 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) -4.61 -0.41 -389.5 4 18 -4 290 491.139 11
Mid Mid (pH 6-8) -4.61 -1.57 -248.28 5 18 -3 287 492.147 11

Activity (Go SEA)

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