UCSF

ZINC21881815

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 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) 2.07 10.18 -60.24 3 8 1 101 436.536 7
Hi High (pH 8-9.5) 2.98 9.13 -79.9 2 8 0 104 435.528 7

Activity (Go SEA)

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