UCSF

ZINC37029166

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 19 No

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) 1.29 3.71 -48.21 3 5 1 64 283.373 4
Mid Mid (pH 6-8) 1.29 2.33 -11.44 2 5 0 60 282.365 4

Activity (Go SEA)

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