UCSF

ZINC20260112

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 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) -0.20 2.59 -46.33 3 3 1 40 233.335 1
Hi High (pH 8-9.5) -0.20 2.26 -3.61 2 3 0 38 232.327 1
Lo Low (pH 4.5-6) -0.20 4.78 -133.24 4 3 2 41 234.343 1

Activity (Go SEA)

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