UCSF

ZINC40057820

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 29 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) 4.02 9.71 -21.58 0 5 0 47 407.367 7
Lo Low (pH 4.5-6) 4.02 10.09 -34.05 1 5 1 49 408.375 7

Activity (Go SEA)

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