UCSF

ZINC25757351

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 26 Yes

CAS Number: 24305-27-9

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) -3.54 1.74 -64.12 3 10 -1 147 362.366 6
Mid Mid (pH 6-8) -3.54 2.22 -79.44 4 10 0 149 363.374 6
Mid Mid (pH 6-8) -3.54 2.43 -64.21 3 10 -1 147 362.366 6

Activity (Go SEA)

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