UCSF

ZINC70514519

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 21 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) 1.94 4.59 -88.91 4 4 2 45 301.519 9
Mid Mid (pH 6-8) 1.94 6.83 -164.74 5 4 3 46 302.527 9
Mid Mid (pH 6-8) 1.94 4.54 -74.07 4 4 2 45 301.519 9

Activity (Go SEA)

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