UCSF

ZINC69797634

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 16 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) -0.30 0.7 -40.9 3 4 1 53 222.312 3
Hi High (pH 8-9.5) -0.30 0.25 -4.22 2 4 0 51 221.304 3
Lo Low (pH 4.5-6) -0.30 1.27 -95.52 4 4 2 54 223.32 3

Activity (Go SEA)

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

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