UCSF

ZINC34825328

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 21 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) 3.80 10.78 -32.78 2 3 1 34 300.813 4
Hi High (pH 8-9.5) 3.80 9.61 -6.47 1 3 0 30 299.805 4
Lo Low (pH 4.5-6) 3.80 11.26 -89.47 3 3 2 36 301.821 4

Activity (Go SEA)

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