UCSF

ZINC39927878

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2010 18 Yes

CAS Number: 1137469-72-7

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) 2.36 8.73 -35.34 2 3 1 43 248.346 4
Hi High (pH 8-9.5) 2.36 7.68 -5.48 1 3 0 38 247.338 4

Activity (Go SEA)

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