UCSF

ZINC31829988

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2009 37 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) 5.02 11.99 -13.2 3 6 0 73 494.639 8
Lo Low (pH 4.5-6) 5.02 12.86 -28.68 4 6 0 75 495.647 8

Activity (Go SEA)

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