UCSF

ZINC32754395

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2009 31 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) 1.81 9.21 -60.55 3 8 1 90 426.541 9
Hi High (pH 8-9.5) 1.81 6.98 -22.17 2 8 0 88 425.533 9

Activity (Go SEA)

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