UCSF

ZINC32910437

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 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) 4.43 7.77 -47.9 1 7 -1 96 404.475 6
Mid Mid (pH 6-8) 3.98 9.17 -17.07 2 7 0 93 405.483 6

Activity (Go SEA)

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