UCSF

ZINC35480270

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 24 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) 0.77 0.69 -12.88 2 8 0 101 359.448 8
Mid Mid (pH 6-8) 0.77 2.95 -53.38 3 8 1 102 360.456 8

Activity (Go SEA)

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