UCSF

ZINC37670505

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2009 17 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) 2.33 7.08 -35.17 2 3 1 29 236.383 6
Hi High (pH 8-9.5) 2.33 5.03 -3.88 1 3 0 28 235.375 6
Lo Low (pH 4.5-6) 2.33 7.53 -82.82 3 3 2 31 237.391 6

Activity (Go SEA)

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