UCSF

ZINC17095339

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2008 29 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) 2.40 5.68 -15.61 3 7 0 103 427.383 6
Lo Low (pH 4.5-6) 2.40 5.92 -42.74 4 7 1 104 428.391 6

Activity (Go SEA)

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