UCSF

ZINC32502343

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2009 26 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) 2.02 5.32 -20.12 1 8 0 95 372.406 6
Hi High (pH 8-9.5) 2.09 4.4 -44.89 0 8 -1 102 371.398 6

Activity (Go SEA)

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