UCSF

ZINC35021211

Substance Information

In ZINC since Heavy atoms Benign functionality
October 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) 3.98 9.75 -42.34 1 2 1 22 282.354 4
Hi High (pH 8-9.5) 3.98 7.61 -8.03 0 2 0 20 281.346 4

Activity (Go SEA)

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