UCSF

ZINC32732041

Substance Information

In ZINC since Heavy atoms Benign functionality
May 8th, 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) 2.68 10.37 -41.04 2 5 1 64 349.41 4
Hi High (pH 8-9.5) 2.75 5.57 -19.17 1 5 0 66 348.402 4
Hi High (pH 8-9.5) 2.68 8.03 -10.76 1 5 0 63 348.402 4

Activity (Go SEA)

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