UCSF

ZINC13734088

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 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) 1.26 5.56 -35.23 2 3 1 29 222.356 8
Lo Low (pH 4.5-6) 1.26 7.33 -177.91 4 3 3 35 224.372 8

Activity (Go SEA)

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