UCSF

ZINC40459003

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 15 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) 1.91 7.63 -36.35 1 3 1 21 206.313 3
Hi High (pH 8-9.5) 1.91 5.4 -4.5 0 3 0 19 205.305 3
Mid Mid (pH 6-8) 1.91 5.71 -27.28 1 3 1 21 206.313 3
Lo Low (pH 4.5-6) 1.91 7.93 -87.71 2 3 2 22 207.321 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0623620A1; EP0623620B1 IBM Patent Data

Activity (Go SEA)

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