UCSF

ZINC06357469

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2006 30 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) 4.77 11.12 -16.11 2 6 0 80 420.538 3
Hi High (pH 8-9.5) 4.95 11.07 -44.8 1 6 -1 82 419.53 3
Hi High (pH 8-9.5) 4.77 12.17 -54.77 1 6 -1 83 419.53 3

Activity (Go SEA)

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