UCSF

ZINC42863415

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 14 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) 1.14 1.7 -43.8 3 3 1 44 214.358 6
Hi High (pH 8-9.5) 1.14 3.13 -29.98 3 3 1 43 214.358 6
Lo Low (pH 4.5-6) 1.14 3.88 -116.22 4 3 2 45 215.366 6

Activity (Go SEA)

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