UCSF

ZINC19939694

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 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) 3.35 9.46 -10.4 0 6 0 49 407.514 9
Mid Mid (pH 6-8) 3.35 9.86 -33.25 1 6 1 50 408.522 9

Activity (Go SEA)

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