UCSF

ZINC37840932

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 1.00 3.4 -52 2 6 1 75 302.42 7
Hi High (pH 8-9.5) 1.00 1.09 -12.6 1 6 0 73 301.412 7

Activity (Go SEA)

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