UCSF

ZINC03368300

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 23 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) 4.05 -3.63 -10.83 1 5 0 64 355.481 9
Hi High (pH 8-9.5) 4.05 -3.05 -42.97 0 5 -1 66 354.473 9

Activity (Go SEA)

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