UCSF

ZINC19366532

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 30 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) 5.23 7.68 -46.13 3 4 1 48 399.514 4
Mid Mid (pH 6-8) 5.23 5.33 -12.44 2 4 0 47 398.506 4

Activity (Go SEA)

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