UCSF

ZINC00949250

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 36 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) 3.35 -4.27 -30.44 2 10 0 140 502.508 6
Hi High (pH 8-9.5) 3.35 -3.78 -64.25 1 10 -1 142 501.5 6

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.