UCSF

ZINC21967643

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 18 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) 0.04 2.19 -55.18 1 6 -1 90 251.262 2
Lo Low (pH 4.5-6) 0.04 1.06 -13.71 2 6 0 87 252.27 2

Activity (Go SEA)

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