UCSF

ZINC20598241

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 36 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) 1.84 9.44 -18.46 0 9 0 94 490.56 8
Lo Low (pH 4.5-6) 1.84 9.89 -52.26 1 9 1 95 491.568 8

Activity (Go SEA)

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