UCSF

ZINC32926657

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2009 29 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) 4.35 11.2 -41.65 2 5 1 56 393.507 10
Hi High (pH 8-9.5) 4.35 8.81 -10.7 1 5 0 55 392.499 10

Activity (Go SEA)

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