UCSF

ZINC20000203

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 31 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) 0.74 2.65 -22.08 4 9 0 162 418.457 5
Lo Low (pH 4.5-6) 0.74 2.48 -63.21 5 9 1 164 419.465 5

Activity (Go SEA)

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