UCSF

ZINC04534324

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 34 Yes

CAS Number: 82816-76-0

Other Names:

MFCD00057826

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) 3.06 -3.49 -48.98 3 9 -1 136 468.53 12

Activity (Go SEA)

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