UCSF

ZINC49539749

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 31 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) 0.85 11.47 -33.95 4 7 1 101 433.561 5
Mid Mid (pH 6-8) 3.11 11.46 -15.43 3 7 0 99 432.553 5

Activity (Go SEA)

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