UCSF

ZINC22151432

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 19 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 5.51 -43.95 4 4 1 60 268.356 7
Hi High (pH 8-9.5) 2.85 3.23 -10.55 3 4 0 58 267.348 7

Activity (Go SEA)

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