UCSF

ZINC09114840

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 34 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) 6.23 16.23 -42.48 2 5 0 71 456.586 10
Hi High (pH 8-9.5) 6.23 14.88 -53.79 1 5 -1 66 455.578 10

Activity (Go SEA)

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