UCSF

ZINC35676934

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 15 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) -1.33 0.34 -50.96 5 4 1 72 274.138 2
Mid Mid (pH 6-8) -1.33 0.7 -142.41 6 4 2 74 275.146 2

Activity (Go SEA)

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