UCSF

ZINC32913416

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2009 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) 3.78 10.08 -46.99 2 7 1 86 409.528 9
Hi High (pH 8-9.5) 3.78 8.02 -11.91 1 7 0 85 408.52 9

Activity (Go SEA)

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