UCSF

ZINC20199665

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 2.80 6.34 -8.72 1 2 0 36 243.137 4
Lo Low (pH 4.5-6) 2.80 7.49 -61.16 2 2 1 40 244.145 4

Activity (Go SEA)

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