UCSF

ZINC22174854

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 19 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) 1.13 4.77 -51.81 3 4 1 49 259.377 6
Hi High (pH 8-9.5) 1.13 6.14 -34.03 3 4 1 48 259.377 6
Lo Low (pH 4.5-6) 1.13 6.88 -125.38 4 4 2 50 260.385 6

Activity (Go SEA)

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