UCSF

ZINC06749527

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 26 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) 1.24 -1.22 -18.45 1 7 0 81 367.434 5
Lo Low (pH 4.5-6) 1.24 -1.11 -48.17 2 7 1 82 368.442 5

Activity (Go SEA)

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

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