UCSF

ZINC32824623

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 33 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) 2.70 11.43 -20.92 1 7 0 86 446.551 5
Hi High (pH 8-9.5) 3.16 10.31 -57.35 0 7 -1 89 445.543 5

Activity (Go SEA)

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