UCSF

ZINC49549600

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 20 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) 2.14 4.57 -10.26 2 5 0 63 289.36 3
Lo Low (pH 4.5-6) 2.33 3.22 -35.46 3 5 1 68 290.368 3

Activity (Go SEA)

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