UCSF

ZINC25443709

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 32 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) 5.13 11.55 -48.27 3 6 1 79 453.632 6
Hi High (pH 8-9.5) 5.59 10.56 -63.84 2 6 0 82 452.624 6

Activity (Go SEA)

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