UCSF

ZINC20037574

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 16 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) 1.93 5.42 -47.95 3 3 1 46 223.271 5
Hi High (pH 8-9.5) 1.93 4.14 -12.24 2 3 0 41 222.263 5

Activity (Go SEA)

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