UCSF

ZINC21012905

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 20 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) 1.11 2.92 -72.23 2 6 0 91 316.404 4
Mid Mid (pH 6-8) 1.11 2.59 -89.62 1 6 -1 93 315.396 4

Activity (Go SEA)

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