UCSF

ZINC32808739

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 31 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) 3.31 8.08 -13.64 0 5 0 49 428.458 4
Mid Mid (pH 6-8) 3.31 10.39 -60.36 1 5 1 51 429.466 4

Activity (Go SEA)

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