UCSF

ZINC53127181

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 21 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) 1.93 2.86 -7.06 3 4 0 61 288.391 3
Lo Low (pH 4.5-6) 1.93 4.25 -38.39 4 4 1 66 289.399 3

Activity (Go SEA)

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