UCSF

ZINC00902219

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 10 Yes

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) -3.07 -7.89 -13.09 4 5 0 97 150.13 4

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 6.78e+02 g/l DrugBank-experimental
UniProt Database Links ARAA1_BACLD; ARAA1_CLOAB; ARAA2_BACLD; ARAA2_CLOAB; ARAA_ACIC1; ARAA_ACTSZ; ARAA_AERHH; ARAA_AERS4; ARAA_ANOFW; ARAA_ARTAT; ARAA_ARTS2; ARAA_BACHD; ARAA_BACSK; ARAA_BACSU; ARAA_BACTN; ARAA_BACV8; ARAA_BIFA0; ARAA_BIFAA; ARAA_BIFLD; ARAA_BIFLO; ARAA_CELJU ChEBI

Activity (Go SEA)

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