UCSF

ZINC13689339

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 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) 4.32 6.39 -43.71 1 5 -1 74 353.423 5
Ref Reference (pH 7) 4.80 6.92 -9.99 2 5 0 75 354.431 4
Ref Reference (pH 7) 4.80 6.51 -9.7 2 5 0 75 354.431 4
Hi High (pH 8-9.5) 5.26 4.47 -48.17 1 5 -1 78 353.423 4
Hi High (pH 8-9.5) 5.26 5.16 -47.28 1 5 -1 78 353.423 4

Activity (Go SEA)

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