UCSF

ZINC36622295

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 25 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) 2.64 4.34 -7.7 1 6 0 60 370.877 7
Mid Mid (pH 6-8) 2.64 6.29 -42.79 2 6 1 61 371.885 7

Activity (Go SEA)

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