UCSF

ZINC20522820

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 36 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) 6.70 14.53 -12.9 1 5 0 57 496.632 11
Lo Low (pH 4.5-6) 6.70 14.97 -37.87 2 5 1 58 497.64 11

Activity (Go SEA)

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