UCSF

ZINC39912477

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 6.39 12.23 -11.96 2 5 0 69 496.369 4
Hi High (pH 8-9.5) 6.16 12.06 -53.79 0 5 -1 68 495.361 4
Hi High (pH 8-9.5) 6.16 11.68 -48.14 0 5 -1 68 495.361 4
Hi High (pH 8-9.5) 6.39 13.04 -39.86 1 5 -1 72 495.361 4

Activity (Go SEA)

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