UCSF

ZINC34686367

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 37 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) 5.37 15.23 -53.32 2 6 1 63 506.711 10
Hi High (pH 8-9.5) 5.56 12.68 -48.76 1 6 0 69 505.703 10

Activity (Go SEA)

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