UCSF

ZINC31558367

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2009 27 No

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) 1.56 6.13 -11.54 2 7 0 89 368.437 7
Lo Low (pH 4.5-6) 1.56 6.5 -36.71 3 7 1 90 369.445 7

Activity (Go SEA)

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