UCSF

ZINC33293827

Substance Information

In ZINC since Heavy atoms Benign functionality
May 28th, 2009 27 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) 6.11 8.3 -10.05 1 5 0 64 402.903 5
Ref Reference (pH 7) 6.11 8.8 -9.71 1 5 0 64 402.903 5
Hi High (pH 8-9.5) 6.11 9.58 -39.48 0 5 -1 67 401.895 5
Hi High (pH 8-9.5) 6.11 9.08 -38.14 0 5 -1 67 401.895 5

Activity (Go SEA)

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