UCSF

ZINC60700747

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 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) 4.26 9.48 -33.63 2 2 1 29 277.391 4
Mid Mid (pH 6-8) 4.26 8.21 -6.34 1 2 0 25 276.383 4

Activity (Go SEA)

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