UCSF

ZINC32899342

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2009 32 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) 2.99 10.61 -12.77 2 8 0 110 492.388 7
Mid Mid (pH 6-8) 3.44 8.82 -50.43 1 8 -1 113 491.38 7

Activity (Go SEA)

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