UCSF

ZINC35307938

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 35 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) 2.61 6.39 -17.4 2 9 0 123 495.605 7
Mid Mid (pH 6-8) 2.50 2.4 -18.2 2 9 0 130 495.605 7

Activity (Go SEA)

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