UCSF

ZINC20217539

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 18 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) 1.16 5.88 -40.62 3 4 1 51 268.768 1
Hi High (pH 8-9.5) 1.16 3.36 -9.04 2 4 0 50 267.76 1

Activity (Go SEA)

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