UCSF

ZINC14097287

Substance Information

In ZINC since Heavy atoms Benign functionality
July 3rd, 2008 23 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) 4.19 6.77 -51.15 1 5 -1 86 332.401 4
Hi High (pH 8-9.5) 4.19 6.85 -100.29 0 5 -2 88 331.393 4

Activity (Go SEA)

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