UCSF

ZINC20197270

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 14 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) 2.51 5.88 -40.66 2 2 1 26 212.338 7
Hi High (pH 8-9.5) 2.51 4.57 -4.52 1 2 0 21 211.33 7

Activity (Go SEA)

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