UCSF

ZINC03473319

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 21 Yes

CAS Number: [7622-53-9]

Other Names:

MFCD00600067

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) 2.80 -1.4 -15.39 2 5 0 79 284.267 2

Activity (Go SEA)

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