UCSF

ZINC06258823

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2006 19 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) 4.17 9.38 -7.54 1 2 0 29 257.377 4
Lo Low (pH 4.5-6) 4.36 7.99 -34.53 2 2 1 34 258.385 4

Activity (Go SEA)

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