UCSF

ZINC16742104

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 25 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) 2.96 4.27 -16.74 2 5 0 76 361.756 4
Mid Mid (pH 6-8) 2.38 5 -23.55 1 5 0 72 361.756 4

Activity (Go SEA)

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