UCSF

ZINC20132414

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 33 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) 2.53 9.12 -80.33 1 8 0 93 454.523 10
Lo Low (pH 4.5-6) 2.53 8.3 -54.63 2 8 1 90 455.531 10

Activity (Go SEA)

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