UCSF

ZINC36636094

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 32 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) 6.42 12.85 -52.29 0 4 -1 66 450.314 5
Lo Low (pH 4.5-6) 6.42 13.14 -36.88 1 4 0 67 451.322 5

Activity (Go SEA)

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