UCSF

ZINC44679525

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 18 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) 2.10 5.45 -33.88 4 3 1 42 266.796 4
Hi High (pH 8-9.5) 2.10 3.1 -2.58 3 3 0 41 265.788 4
Lo Low (pH 4.5-6) 2.10 4.32 -43.84 4 3 1 46 266.796 4

Activity (Go SEA)

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