UCSF

ZINC37637216

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2009 11 No

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) 2.84 5 -40.19 0 1 -1 13 198.317 1

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0000488A1; EP0000500A2; EP0012109A2; EP0016296A1; EP0016900A1; EP0031794A2; US4234578; US4313945; US4374134; US4464366; US4467101; US4791197 IBM Patent Data
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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