UCSF

ZINC34527500

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 31 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) 0.81 3.66 -21.44 2 9 0 122 442.497 9
Hi High (pH 8-9.5) 0.81 4.87 -57.43 1 9 -1 125 441.489 9
Hi High (pH 8-9.5) 1.00 3.61 -50.13 1 9 -1 128 441.489 9

Activity (Go SEA)

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