UCSF

ZINC36145832

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 31 No

Popular Name: (2R)-1-[(2-chlorophenyl)methyl-[[(5S)-3-(4-methoxyphenyl)-4,5-dihydroisoxazol-5-yl]methyl]amino]-3-i (2R)-1-[(2-chlorophenyl)methyl-[…

Find On: PubMed — Wikipedia — Google

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) 4.12 8.76 -41.57 2 6 1 65 447.983 11 ↓
Hi High (pH 8-9.5) 4.12 6.63 -11.63 1 6 0 64 446.975 11 ↓

Activity (Go SEA)

Rings

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