UCSF

ZINC36359070

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 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) 2.56 7.68 -14.81 1 7 0 78 403.438 6
Ref Reference (pH 7) 2.37 10.35 -14.9 1 7 0 75 403.438 6
Mid Mid (pH 6-8) 2.37 10.81 -49.8 2 7 1 76 404.446 6

Activity (Go SEA)

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