UCSF

ZINC21504624

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 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) 1.44 3.12 -51.34 3 5 1 79 247.322 7
Lo Low (pH 4.5-6) 1.44 3.69 -83.11 4 5 2 81 248.33 7

Activity (Go SEA)

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