UCSF

ZINC20528777

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 30 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) 6.26 9.71 -8.59 2 4 0 62 438.358 3
Lo Low (pH 4.5-6) 6.26 10.16 -56.05 3 4 1 64 439.366 3

Activity (Go SEA)

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