UCSF

ZINC29483849

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 30 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) 2.29 11.55 -38.26 1 7 0 74 421.526 6
Lo Low (pH 4.5-6) 2.29 11.95 -48.51 2 7 1 75 422.534 6

Activity (Go SEA)

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