UCSF

ZINC04533502

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 35 Yes

CAS Number: 84030-19-3

Other Names:

MFCD00038537

SS-9594

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) 4.57 0.41 -64.6 1 7 -1 96 466.517 9

Activity (Go SEA)

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