UCSF

ZINC38202309

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2010 26 Yes

CAS Number: 79458-92-7

Other Names:

MFCD00238402

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) 0.59 6.17 -63.89 4 9 0 137 360.37 9
Mid Mid (pH 6-8) 0.59 5.63 -59.19 3 9 -1 136 359.362 9

Activity (Go SEA)

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