UCSF

ZINC20485612

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 16 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) 2.69 6.53 -40.46 2 3 1 37 245.412 7
Mid Mid (pH 6-8) 2.69 5.25 -8.18 1 3 0 32 244.404 7

Activity (Go SEA)

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