UCSF

ZINC16737086

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 37 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) 3.66 9.4 -18.86 1 8 0 95 503.551 11
Mid Mid (pH 6-8) 3.08 10.08 -27.02 0 8 0 91 503.551 11

Activity (Go SEA)

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