UCSF

ZINC32908971

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) 3.58 11.66 -11.8 0 5 0 40 426.564 5
Mid Mid (pH 6-8) 3.58 13.3 -45.37 1 5 1 41 427.572 5

Activity (Go SEA)

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