UCSF

ZINC27598041

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 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) 2.76 2.01 -49.82 2 5 -1 91 344.199 4
Lo Low (pH 4.5-6) 2.76 1.93 -16.75 3 5 0 89 345.207 4

Activity (Go SEA)

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