UCSF

ZINC13943373

Substance Information

In ZINC since Heavy atoms Benign functionality
June 30th, 2008 24 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) 2.92 4.29 -21.17 2 7 0 93 325.324 3
Ref Reference (pH 7) 2.92 4.46 -17.06 2 7 0 93 325.324 3
Hi High (pH 8-9.5) 2.92 5.47 -64.74 1 7 -1 96 324.316 3
Hi High (pH 8-9.5) 2.92 5.3 -68.3 1 7 -1 96 324.316 3

Activity (Go SEA)

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