UCSF

ZINC58180829

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2011 27 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) 2.10 6.21 -55.09 3 7 1 85 372.445 7
Hi High (pH 8-9.5) 2.10 4.02 -17.83 2 7 0 84 371.437 7

Activity (Go SEA)

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