UCSF

ZINC20611183

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 27 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) 2.85 5.35 -25.73 4 7 0 110 368.437 4
Hi High (pH 8-9.5) 2.85 3.93 -35.33 3 7 -1 106 367.429 4

Activity (Go SEA)

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