UCSF

ZINC13508244

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 14 Yes

CAS Number: 7634-39-1

Other Names:

MFCD00133228

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) -3.92 -10.84 -16.99 6 7 0 138 210.182 6
Hi High (pH 8-9.5) -3.92 -10.09 -58.88 5 7 -1 141 209.174 6

Activity (Go SEA)

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