UCSF

ZINC01147538

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 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) 4.55 -7.32 -13.35 2 6 0 92 436.942 6
Hi High (pH 8-9.5) 4.55 -6.74 -42.95 1 6 -1 94 435.934 6

Activity (Go SEA)

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