UCSF

ZINC20457710

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 29 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) 4.59 11.7 -15.07 1 4 0 28 456.414 9
Mid Mid (pH 6-8) 4.59 14.04 -52.58 2 4 1 29 457.422 9

Activity (Go SEA)

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