UCSF

ZINC13563456

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 33 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) 2.83 4.55 -32.74 4 10 0 149 446.467 6
Hi High (pH 8-9.5) 3.28 2.91 -58.75 3 10 -1 152 445.459 6
Hi High (pH 8-9.5) 3.28 2.64 -74.26 3 10 -1 152 445.459 6
Hi High (pH 8-9.5) 3.28 2.79 -63.82 3 10 -1 152 445.459 6

Activity (Go SEA)

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