UCSF

ZINC05734668

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2006 24 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) 4.23 10.42 -6.99 1 4 0 54 378.284 4
Ref Reference (pH 7) 4.23 10.45 -7.28 1 4 0 54 378.284 4
Hi High (pH 8-9.5) 4.76 9.33 -42.81 0 4 -1 56 377.276 5

Activity (Go SEA)

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