UCSF

ZINC06729540

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2006 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) 0.00 -0.82 -16.14 1 6 0 81 256.312 4
Hi High (pH 8-9.5) 0.19 -2.04 -43.36 0 6 -1 87 255.304 4

Activity (Go SEA)

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

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