UCSF

ZINC26532721

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 32 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) 3.18 11.98 -74.42 1 8 0 111 441.459 8
Lo Low (pH 4.5-6) 3.18 11.16 -56.99 2 8 1 108 442.467 8

Activity (Go SEA)

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