UCSF

ZINC32788779

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2009 25 No

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) 5.98 7.86 -8.77 2 4 0 65 352.459 2
Hi High (pH 8-9.5) 6.43 5.95 -47.7 1 4 -1 69 351.451 2
Hi High (pH 8-9.5) 6.43 5.81 -49.6 1 4 -1 69 351.451 2

Activity (Go SEA)

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