UCSF

ZINC19657605

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 26 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) 2.13 6.25 -12.31 0 5 0 46 373.522 4
Mid Mid (pH 6-8) 2.13 8.65 -50.45 1 5 1 47 374.53 4

Activity (Go SEA)

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