UCSF

ZINC19535112

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 28 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) 3.17 10.99 -10.27 0 4 0 41 370.452 6
Mid Mid (pH 6-8) 3.17 13.01 -47.93 1 4 1 42 371.46 6

Activity (Go SEA)

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