UCSF

ZINC32748109

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2009 25 No

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) 4.22 10.18 -13.67 1 4 0 47 398.304 5
Mid Mid (pH 6-8) 4.22 10.57 -36.72 2 4 1 48 399.312 5

Activity (Go SEA)

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