UCSF

ZINC35447981

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 31 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) 5.60 12.42 -42.59 2 6 1 74 440.589 7
Mid Mid (pH 6-8) 5.60 11.9 -14.4 1 6 0 73 439.581 7

Activity (Go SEA)

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