UCSF

ZINC19925819

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 30 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) 3.39 10.12 -70.09 1 6 0 74 428.916 8
Lo Low (pH 4.5-6) 3.39 9.3 -47.06 2 6 1 71 429.924 8

Activity (Go SEA)

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