UCSF

ZINC35445956

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 34 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) 1.64 11.21 -48.27 1 8 1 69 468.622 4
Mid Mid (pH 6-8) 1.64 9 -19.31 0 8 0 67 467.614 4

Activity (Go SEA)

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