UCSF

ZINC32860047

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2009 27 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) 1.16 7.01 -20.4 2 7 0 85 362.389 5
Mid Mid (pH 6-8) 1.16 7.49 -48.88 3 7 1 87 363.397 5

Activity (Go SEA)

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