UCSF

ZINC41091258

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2010 20 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) 2.34 5.24 -49.8 1 5 -1 86 302.347 8
Lo Low (pH 4.5-6) 2.34 3.26 -13.32 2 5 0 83 303.355 8

Activity (Go SEA)

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