UCSF

ZINC01211965

Substance Information

In ZINC since Heavy atoms Benign functionality
August 10th, 2004 28 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) 4.68 11.01 -12.89 1 5 0 56 371.44 6
Lo Low (pH 4.5-6) 4.68 11.36 -29.25 2 5 1 58 372.448 6

Activity (Go SEA)

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