UCSF

ZINC44723043

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 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) -0.19 2.78 -37.51 3 5 1 49 239.343 5
Hi High (pH 8-9.5) -0.19 0.3 -9.48 2 5 0 48 238.335 5
Lo Low (pH 4.5-6) -0.19 1.43 -46.49 3 5 1 52 239.343 5

Activity (Go SEA)

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