UCSF

ZINC22919288

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 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) 1.74 8.07 -34.35 2 5 1 48 382.475 5
Hi High (pH 8-9.5) 1.74 5.79 -9.35 1 5 0 47 381.467 5

Activity (Go SEA)

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