UCSF

ZINC52479401

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 15 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) 1.04 3.98 -38.94 2 3 1 33 208.329 6
Lo Low (pH 4.5-6) 1.04 5.9 -108.55 3 3 2 34 209.337 6

Activity (Go SEA)

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