UCSF

ZINC15078355

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 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) 3.12 6.85 -10.18 1 5 0 60 388.393 8
Lo Low (pH 4.5-6) 3.12 8.91 -116.97 3 5 2 66 390.409 8

Activity (Go SEA)

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