UCSF

ZINC37855023

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) 2.29 5.8 -46.41 3 3 1 46 253.391 8
Hi High (pH 8-9.5) 2.29 4.45 -8.65 2 3 0 41 252.383 8

Activity (Go SEA)

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