UCSF

ZINC37847133

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) 2.70 4.4 -50.2 3 4 1 55 323.24 10
Hi High (pH 8-9.5) 2.70 3.05 -7.75 2 4 0 51 322.232 10

Activity (Go SEA)

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