UCSF

ZINC06088303

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 29 Yes

Other Names:

MFCD07777029

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) 4.19 2.53 -14.31 1 4 0 63 443.409 6
Hi High (pH 8-9.5) 4.19 3.11 -45.31 0 4 -1 65 442.401 6

Activity (Go SEA)

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