UCSF

ZINC02940783

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 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) 0.18 7.01 -52.78 2 9 1 102 427.51 5
Mid Mid (pH 6-8) 0.18 6.74 -23.94 1 9 0 100 426.502 5

Activity (Go SEA)

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