UCSF

ZINC16731568

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 32 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) 4.58 9.21 -12.9 1 6 0 76 435.52 10
Mid Mid (pH 6-8) 3.99 9.87 -19.21 0 6 0 73 435.52 10

Activity (Go SEA)

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