UCSF

ZINC23244933

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 28 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) 3.19 10.15 -31.79 1 7 0 90 431.568 7
Hi High (pH 8-9.5) 3.37 9.08 -53.59 0 7 -1 96 430.56 7

Activity (Go SEA)

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