UCSF

ZINC19794395

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 29 Yes

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) 3.12 11.18 -102.01 3 5 2 50 387.531 5
Hi High (pH 8-9.5) 3.12 9.22 -8.46 1 5 0 44 385.515 5
Hi High (pH 8-9.5) 3.12 10.9 -49.73 2 5 1 49 386.523 5
Hi High (pH 8-9.5) 3.12 9.64 -37.7 2 5 1 46 386.523 5

Activity (Go SEA)

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