UCSF

ZINC36049469

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2009 28 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) 4.76 10.54 -12.19 2 6 0 78 419.312 4
Hi High (pH 8-9.5) 5.21 8.58 -45.19 1 6 -1 81 418.304 4

Activity (Go SEA)

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