UCSF

ZINC36161348

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 19 No

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) 2.41 3.68 -15.52 0 4 0 61 284.425 3
Lo Low (pH 4.5-6) 2.41 5.49 -59.86 1 4 1 62 285.433 3

Activity (Go SEA)

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