UCSF

ZINC36746664

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 14 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) -1.59 0.54 -45.45 2 6 -1 104 199.186 4
Lo Low (pH 4.5-6) -1.59 -1.42 -16.21 3 6 0 101 200.194 4

Activity (Go SEA)

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