UCSF

ZINC14300454

Substance Information

In ZINC since Heavy atoms Benign functionality
July 7th, 2008 35 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) 3.88 9.66 -28.09 2 7 0 93 491.975 10
Lo Low (pH 4.5-6) 3.88 9.99 -50.73 3 7 1 95 492.983 10

Activity (Go SEA)

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