UCSF

ZINC19928635

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 31 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) 3.33 11.01 -72.94 1 6 0 74 426.488 8
Hi High (pH 8-9.5) 3.33 8.49 -56.9 0 6 -1 73 425.48 8
Lo Low (pH 4.5-6) 3.33 10.19 -53.04 2 6 1 71 427.496 8

Activity (Go SEA)

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