UCSF

ZINC01655447

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 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) 2.49 -3.84 -48.93 1 5 -1 86 256.303 6
Hi High (pH 8-9.5) 2.49 -3.27 -99.66 0 5 -2 88 255.295 6

Activity (Go SEA)

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