UCSF

ZINC18599758

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2008 31 Yes

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) 3.67 8.62 -17.83 1 7 0 84 479.027 7
Mid Mid (pH 6-8) 3.67 8.95 -46.55 2 7 1 86 480.035 7

Activity (Go SEA)

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