UCSF

ZINC33943508

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2009 22 Yes

Popular Name: Isotretinoin Isotretinoin

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CAS Number: 4759-48-2

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) 5.80 11.56 -58 0 2 -1 40 299.434 5 ↓
Lo Low (pH 4.5-6) 5.80 10.92 -6.44 1 2 0 37 300.442 5 ↓

Vendor Notes

Note Type Comments Provided By
Target Hydroxylase Selleck Chemicals

Activity (Go SEA)

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