UCSF

ZINC43911743

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 21 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) 3.14 7.51 -36.28 2 3 1 29 285.411 7
Hi High (pH 8-9.5) 3.14 6.53 -3.97 1 3 0 24 284.403 7
Lo Low (pH 4.5-6) 3.14 9.44 -124.13 3 3 2 30 286.419 7

Activity (Go SEA)

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