UCSF

ZINC26522493

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 16 Yes

CAS Number: 692778-50-0

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) 2.56 7.51 -52.62 0 4 -1 66 229.296 7
Lo Low (pH 4.5-6) 2.56 6.31 -7.81 1 4 0 64 230.304 7

Activity (Go SEA)

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