UCSF

ZINC40192074

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.91 10.94 -18.76 1 6 0 67 392.503 9
Lo Low (pH 4.5-6) 2.91 11.38 -33.25 2 6 1 68 393.511 9

Activity (Go SEA)

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