UCSF

ZINC13769147

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 26 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) 4.62 8.4 -44.43 0 5 -1 63 367.45 6
Ref Reference (pH 7) 5.11 8.98 -10.3 1 5 0 64 368.458 5
Lo Low (pH 4.5-6) 4.62 8.94 -16.56 1 5 0 60 368.458 6

Activity (Go SEA)

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