UCSF

ZINC19799120

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 25 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) 0.84 3.86 -11.89 0 8 0 78 358.435 12
Lo Low (pH 4.5-6) 0.84 6.08 -43.46 1 8 1 79 359.443 12

Activity (Go SEA)

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