UCSF

ZINC04079720

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2005 26 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) 2.05 5.4 -48.18 0 7 -1 92 376.389 3
Mid Mid (pH 6-8) 2.05 5.37 -19.1 1 7 0 90 377.397 3

Activity (Go SEA)

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