UCSF

ZINC05364089

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 25 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) 3.91 7.1 -23.95 2 6 0 84 402.248 4
Ref Reference (pH 7) 3.74 7.21 -41 3 6 1 82 403.256 5
Hi High (pH 8-9.5) 4.37 5.47 -47.42 1 6 -1 87 401.24 4
Hi High (pH 8-9.5) 4.37 5.2 -63.23 1 6 -1 87 401.24 4

Activity (Go SEA)

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