UCSF

ZINC36158954

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 3.14 9.67 -55.26 3 5 1 70 398.552 7
Hi High (pH 8-9.5) 3.60 6.76 -51.87 2 5 0 74 397.544 7

Activity (Go SEA)

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