UCSF

ZINC32610817

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2009 16 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) -0.45 4.73 -44.47 1 5 1 43 223.3 2
Mid Mid (pH 6-8) -0.45 2.47 -9.43 0 5 0 41 222.292 2

Activity (Go SEA)

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