UCSF

ZINC20434540

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 15 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) 0.49 1.59 -37.64 3 4 1 57 213.301 4
Hi High (pH 8-9.5) 0.49 0.21 -7.83 2 4 0 53 212.293 4

Activity (Go SEA)

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