UCSF

ZINC36860026

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 19 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) 2.48 8.63 -40.49 1 4 1 30 329.262 4
Mid Mid (pH 6-8) 2.48 6.42 -6.25 0 4 0 28 328.254 4

Activity (Go SEA)

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