UCSF

ZINC32605108

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2009 19 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) 5.60 8.79 -33.5 2 2 1 26 334.624 2
Mid Mid (pH 6-8) 5.60 8.38 -6.47 1 2 0 25 333.616 2

Activity (Go SEA)

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