UCSF

ZINC03871397

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 23 No

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) 0.26 -0.95 -35.45 6 11 0 169 363.292 4
Ref Reference (pH 7) -0.91 0.58 -50.13 4 11 -1 169 362.284 4
Hi High (pH 8-9.5) -0.91 1.45 -139.94 4 11 -2 169 361.276 4
Lo Low (pH 4.5-6) -4.23 -1.37 -49.18 6 11 1 167 364.3 4

Activity (Go SEA)

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

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