UCSF

ZINC23257352

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 32 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) 2.60 9.99 -46.19 2 6 1 57 435.592 8
Hi High (pH 8-9.5) 2.60 7.46 -9.03 1 6 0 56 434.584 8

Activity (Go SEA)

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