UCSF

ZINC32899919

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2009 32 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) 3.09 10.9 -11.14 0 6 0 54 425.536 4
Mid Mid (pH 6-8) 3.09 13.17 -54.27 1 6 1 55 426.544 4

Activity (Go SEA)

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