UCSF

ZINC33766321

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 35 No

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) 3.85 10.91 -53.73 0 8 -1 101 491.545 10
Lo Low (pH 4.5-6) 3.85 9.62 -20.9 1 8 0 98 492.553 10

Activity (Go SEA)

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