UCSF

ZINC39756925

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 38 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) 4.17 12.6 -74.33 1 9 0 114 520.582 12
Lo Low (pH 4.5-6) 4.17 11.81 -49.66 2 9 1 111 521.59 12

Activity (Go SEA)

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