UCSF

ZINC24888793

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 34 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) 4.15 12.37 -28.26 1 7 0 74 451.53 7
Lo Low (pH 4.5-6) 4.15 12.76 -48.19 2 7 1 75 452.538 7

Activity (Go SEA)

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