UCSF

ZINC42394319

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 16 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) 2.71 6.81 -59.29 0 4 -1 62 222.264 5
Lo Low (pH 4.5-6) 2.71 7.23 -43.73 1 4 0 63 223.272 5

Activity (Go SEA)

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