UCSF

ZINC70200344

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2011 21 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) 1.34 4.83 -53.07 2 7 -1 102 290.299 5
Lo Low (pH 4.5-6) 1.34 2.85 -16.51 3 7 0 99 291.307 5

Activity (Go SEA)

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