UCSF

ZINC43459678

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 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) 2.88 7.81 -42.21 2 2 1 29 263.311 5
Hi High (pH 8-9.5) 2.88 7.03 -4.26 1 2 0 25 262.303 5
Lo Low (pH 4.5-6) 2.88 8.28 -102.27 3 2 2 31 264.319 5

Activity (Go SEA)

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