UCSF

ZINC27221653

Substance Information

In ZINC since Heavy atoms Benign functionality
February 14th, 2009 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) 4.54 8.4 -43.36 2 3 1 35 391.738 6
Hi High (pH 8-9.5) 4.54 7.11 -6.54 1 3 0 30 390.73 6

Activity (Go SEA)

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