UCSF

ZINC13829466

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 24 No

CAS Number: 17834-04-7

Other Names:

MFCD00272667

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) 2.76 7.41 -45.51 1 5 -1 91 323.324 4
Mid Mid (pH 6-8) 2.76 6.19 -21.13 2 5 0 88 324.332 4
Mid Mid (pH 6-8) 2.76 6.81 -27.78 2 5 0 88 324.332 4

Activity (Go SEA)

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