UCSF

ZINC20798159

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 25 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) 0.48 4.74 -39.28 1 7 1 62 362.479 4
Hi High (pH 8-9.5) 0.48 4.33 -16.16 0 7 0 61 361.471 4
Lo Low (pH 4.5-6) 0.48 6.63 -45.17 1 7 1 62 362.479 4

Activity (Go SEA)

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