UCSF

ZINC38564103

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 36 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) 2.91 9.34 -48 5 7 1 106 493.672 10
Hi High (pH 8-9.5) 2.91 9.09 -12.99 4 7 0 105 492.664 10

Activity (Go SEA)

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