UCSF

ZINC08739087

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2007 24 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) 4.88 10.14 -15.02 1 4 0 51 379.268 5
Hi High (pH 8-9.5) 5.07 9.07 -37.72 0 4 -1 58 378.26 5

Activity (Go SEA)

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