UCSF

ZINC40417114

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 21 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) 4.43 10.38 -10.28 0 3 0 27 280.371 4
Lo Low (pH 4.5-6) 4.43 11.04 -27.24 1 3 1 28 281.379 4

Activity (Go SEA)

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