UCSF

ZINC38801270

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2010 33 No

CAS Number: [104759-35-5]

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) 7.04 16.13 -51.44 0 3 -1 57 451.671 5
Lo Low (pH 4.5-6) 7.04 14.14 -9.63 1 3 0 54 452.679 5

Activity (Go SEA)

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